 Entering Gaussian System, Link 0=g16
 Input=15_2carene_STD_LCPBE_augccpVDZ.in
 Output=15_2carene_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/15_2carene_STD/Gau-17980.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/15_2carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     17981.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=15_2carene_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=025000
 0000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=250000000,108=250000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "15_2carene_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.539270000000     -0.435125000000     -0.935630000000
  C                                                 0.816364000000      0.968322000000     -0.450280000000
  C                                                -0.765594000000     -1.028594000000     -0.572480000000
  C                                                -1.800993000000     -0.297742000000     -0.156432000000
  C                                                -3.135413000000     -0.895562000000      0.168823000000
  C                                                -1.676641000000      1.202692000000     -0.021029000000
  C                                                -0.263208000000      1.653051000000      0.372514000000
  C                                                 1.636339000000     -0.186823000000      0.085468000000
  H                                                 0.893695000000     -0.691598000000     -1.929272000000
  H                                                 1.339746000000      1.614886000000     -1.144387000000
  H                                                -0.874831000000     -2.104823000000     -0.671160000000
  H                                                -3.148517000000     -1.971949000000     -0.004947000000
  H                                                -3.924099000000     -0.440411000000     -0.439321000000
  H                                                -3.404545000000     -0.711394000000      1.213967000000
  H                                                -2.397776000000      1.565713000000      0.716548000000
  H                                                -1.964396000000      1.665977000000     -0.972847000000
  H                                                -0.118055000000      1.450646000000      1.435502000000
  H                                                -0.177183000000      2.735203000000      0.256669000000
  C                                                 1.458496000000     -0.656559000000      1.508984000000
  C                                                 3.060086000000     -0.290467000000     -0.413000000000
  H                                                 0.412233000000     -0.690309000000      1.806635000000
  H                                                 1.991804000000     -0.002624000000      2.204759000000
  H                                                 1.865028000000     -1.664540000000      1.625325000000
  H                                                 3.146950000000      0.056753000000     -1.444121000000
  H                                                 3.414003000000     -1.324549000000     -0.376315000000
  H                                                 3.733703000000      0.313863000000      0.201341000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.510632   0.000000
     3  C    1.478768   2.550529   0.000000
     4  C    2.470396   2.922297   1.333901   0.000000
     5  C    3.864597   4.412923   2.486618   1.497951   0.000000
     6  C    2.903309   2.540523   2.472396   1.511655   2.562563
     7  C    2.591465   1.520302   2.887321   2.539717   3.845319
     8  C    1.519163   1.514511   2.628832   3.447618   4.824819
     9  H    1.085689   2.224575   2.169721   3.249527   4.547232
    10  H    2.210630   1.083401   3.427466   3.807682   5.296595
    11  H    2.203978   3.514705   1.086250   2.094818   2.697798
    12  H    4.102167   4.956188   2.624945   2.154469   1.090402
    13  H    4.490881   4.945365   3.215563   2.146616   1.095001
    14  H    4.500085   4.838103   3.202510   2.149530   1.094841
    15  H    3.919092   3.471176   3.325062   2.142594   2.627163
    16  H    3.268694   2.914177   2.976262   2.132938   3.039107
    17  H    3.100077   2.159155   3.255446   2.902309   4.026614
    18  H    3.462060   2.146807   3.898703   3.464992   4.684154
    19  C    2.621097   2.625126   3.068791   3.677857   4.791362
    20  C    2.578484   2.572980   3.899499   4.867851   6.252109
    21  H    2.757041   2.829849   2.676173   2.984311   3.912844
    22  H    3.486969   3.061638   4.045852   4.477458   5.588446
    23  H    3.134898   3.512804   3.486394   4.299128   5.264707
    24  H    2.701944   2.692640   4.152799   5.125032   6.555652
    25  H    3.060719   3.465611   4.194651   5.319668   6.586050
    26  H    3.472476   3.060032   4.758641   5.579868   6.974849
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.534761   0.000000
     8  C    3.594152   2.660040   0.000000
     9  H    3.719725   3.483392   2.205787   0.000000
    10  H    3.245062   2.207240   2.201514   2.476868   0.000000
    11  H    3.464856   3.947779   3.249182   2.589930   4.354828
    12  H    3.499289   4.648452   5.107807   4.656372   5.857321
    13  H    2.815284   4.294622   5.590902   5.049177   5.694684
    14  H    2.859124   4.020776   5.192225   5.324961   5.786338
    15  H    1.093545   2.163878   4.443392   4.788486   4.175472
    16  H    1.096993   2.168918   4.185474   3.826433   3.308986
    17  H    2.147593   1.091779   2.753506   4.115161   2.967825
    18  H    2.161962   1.091730   3.443313   4.203342   2.349285
    19  C    3.953080   3.096793   1.509529   3.484513   3.494845
    20  C    4.981942   3.929196   1.512041   2.674554   2.669245
    21  H    3.359643   2.829180   2.171255   3.766803   3.857815
    22  H    4.456950   3.344168   2.156775   4.332521   3.776016
    23  H    4.845092   4.135860   2.146417   3.811202   4.324565
    24  H    5.158042   4.180611   2.163543   2.423336   2.404913
    25  H    5.694544   4.790483   2.160498   3.027252   3.678689
    26  H    5.487375   4.218770   2.159409   3.690001   3.038861
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.373003   0.000000
    13  H    3.481674   1.770824   0.000000
    14  H    3.448884   1.772089   1.754061   0.000000
    15  H    4.209267   3.687712   2.773126   2.538942   0.000000
    16  H    3.936636   3.946325   2.926082   3.536676   1.746976
    17  H    4.201440   4.792990   4.645108   3.940116   2.393170
    18  H    4.977292   5.572661   4.960676   4.817812   2.551515
    19  C    3.506410   5.024620   5.728433   4.872290   4.520761
    20  C    4.340749   6.445203   6.985844   6.679495   5.874482
    21  H    3.129992   4.195637   4.889841   3.862576   3.764847
    22  H    4.572499   5.931605   6.494669   5.532143   4.893145
    23  H    3.602016   5.280901   6.266997   5.370857   5.425118
    24  H    4.630832   6.769029   7.159367   7.111791   6.139172
    25  H    4.369194   6.604825   7.391442   7.028339   6.582153
    26  H    5.277299   7.254822   7.721484   7.282249   6.279140
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.042283   0.000000
    18  H    2.418488   1.744486   0.000000
    19  C    4.823883   2.632722   3.968348   0.000000
    20  C    5.420934   4.068048   4.481411   2.528465   0.000000
    21  H    4.350399   2.236657   3.805777   1.088302   3.478186
    22  H    5.341622   2.674931   3.999407   1.093687   2.841961
    23  H    5.701520   3.697707   5.039998   1.093082   2.733315
    24  H    5.379364   4.571151   4.595285   3.475704   1.091475
    25  H    6.182740   4.843534   5.457002   2.797243   1.093585
    26  H    5.972877   4.201365   4.600106   2.797895   1.093796
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768179   0.000000
    23  H    1.758583   1.764591   0.000000
    24  H    4.313258   3.827821   3.745353   0.000000
    25  H    3.765389   3.229873   2.553719   1.766217   0.000000
    26  H    3.823283   2.673586   3.071442   1.765766   1.766434
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.5463935           0.9251117           0.8426951
 Leave Link  202 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       548.8339666672 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:              33.6 elap:               5.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  4.37D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 16 19:14:11 2021, MaxMem=  5637144576 cpu:               6.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:12 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "15_2carene_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:13 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636827066 LenY=  5636671389
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -389.396731718160    
 DIIS: error= 2.35D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -389.396731718160     IErMin= 1 ErrMin= 2.35D-03
 ErrMax= 2.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-02 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.35D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 GapD=    0.379 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.02D-02 MaxDP=1.52D+00              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.67D-02    CP:  1.38D+00
 E= -389.407447608800     Delta-E=       -0.010715890640 Rises=F Damp=F
 DIIS: error= 5.32D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -389.407447608800     IErMin= 2 ErrMin= 5.32D-04
 ErrMax= 5.32D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-04 BMatP= 1.05D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.32D-03
 Coeff-Com: -0.101D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.100D-01 0.101D+01
 Gap=     0.326 Goal=   None    Shift=    0.000
 RMSDP=3.20D-03 MaxDP=2.75D-01 DE=-1.07D-02 OVMax= 3.54D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.05D-03    CP:  1.44D+00  1.14D+00
 E= -389.407704715409     Delta-E=       -0.000257106609 Rises=F Damp=F
 DIIS: error= 3.95D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -389.407704715409     IErMin= 3 ErrMin= 3.95D-04
 ErrMax= 3.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-04 BMatP= 2.91D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.95D-03
 Coeff-Com: -0.218D-01 0.401D+00 0.621D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.217D-01 0.399D+00 0.623D+00
 Gap=     0.330 Goal=   None    Shift=    0.000
 RMSDP=3.99D-04 MaxDP=2.62D-02 DE=-2.57D-04 OVMax= 2.14D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.17D-04    CP:  1.45D+00  1.16D+00  1.02D+00
 E= -389.407841704772     Delta-E=       -0.000136989363 Rises=F Damp=F
 DIIS: error= 8.07D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -389.407841704772     IErMin= 4 ErrMin= 8.07D-05
 ErrMax= 8.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-06 BMatP= 1.34D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.340D-02-0.276D-01 0.138D+00 0.893D+00
 Coeff:     -0.340D-02-0.276D-01 0.138D+00 0.893D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=1.44D-04 MaxDP=1.23D-02 DE=-1.37D-04 OVMax= 5.47D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.96D-05    CP:  1.45D+00  1.17D+00  1.09D+00  1.07D+00
 E= -389.407849188254     Delta-E=       -0.000007483482 Rises=F Damp=F
 DIIS: error= 2.22D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -389.407849188254     IErMin= 5 ErrMin= 2.22D-05
 ErrMax= 2.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-07 BMatP= 6.43D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.361D-03-0.372D-01 0.125D-01 0.325D+00 0.699D+00
 Coeff:      0.361D-03-0.372D-01 0.125D-01 0.325D+00 0.699D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=2.16D-05 MaxDP=6.59D-04 DE=-7.48D-06 OVMax= 1.85D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.53D-05    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.03D+00
 E= -389.407849875404     Delta-E=       -0.000000687150 Rises=F Damp=F
 DIIS: error= 5.24D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -389.407849875404     IErMin= 6 ErrMin= 5.24D-06
 ErrMax= 5.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-08 BMatP= 6.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.428D-03-0.774D-02-0.732D-02 0.130D-01 0.204D+00 0.797D+00
 Coeff:      0.428D-03-0.774D-02-0.732D-02 0.130D-01 0.204D+00 0.797D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=6.51D-06 MaxDP=4.98D-04 DE=-6.87D-07 OVMax= 6.82D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.02D-06    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.07D+00
                    CP:  1.12D+00
 E= -389.407849928002     Delta-E=       -0.000000052598 Rises=F Damp=F
 DIIS: error= 1.47D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -389.407849928002     IErMin= 7 ErrMin= 1.47D-06
 ErrMax= 1.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-09 BMatP= 3.90D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.434D-04 0.893D-03-0.188D-02-0.192D-01-0.985D-02 0.137D+00
 Coeff-Com:  0.893D+00
 Coeff:      0.434D-04 0.893D-03-0.188D-02-0.192D-01-0.985D-02 0.137D+00
 Coeff:      0.893D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=2.83D-06 MaxDP=2.21D-04 DE=-5.26D-08 OVMax= 4.32D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.43D-06    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.08D+00
                    CP:  1.19D+00  1.14D+00
 E= -389.407849931469     Delta-E=       -0.000000003467 Rises=F Damp=F
 DIIS: error= 6.14D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -389.407849931469     IErMin= 8 ErrMin= 6.14D-07
 ErrMax= 6.14D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.75D-10 BMatP= 1.85D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.225D-04 0.125D-02-0.209D-03-0.111D-01-0.267D-01-0.156D-01
 Coeff-Com:  0.431D+00 0.621D+00
 Coeff:     -0.225D-04 0.125D-02-0.209D-03-0.111D-01-0.267D-01-0.156D-01
 Coeff:      0.431D+00 0.621D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=7.23D-07 MaxDP=5.30D-05 DE=-3.47D-09 OVMax= 8.87D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.61D-07    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.08D+00
                    CP:  1.20D+00  1.21D+00  1.15D+00
 E= -389.407849932297     Delta-E=       -0.000000000827 Rises=F Damp=F
 DIIS: error= 2.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -389.407849932297     IErMin= 9 ErrMin= 2.60D-07
 ErrMax= 2.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-11 BMatP= 6.75D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.115D-04 0.247D-03 0.162D-03-0.685D-03-0.610D-02-0.199D-01
 Coeff-Com:  0.210D-01 0.146D+00 0.859D+00
 Coeff:     -0.115D-04 0.247D-03 0.162D-03-0.685D-03-0.610D-02-0.199D-01
 Coeff:      0.210D-01 0.146D+00 0.859D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=2.54D-07 MaxDP=1.33D-05 DE=-8.27D-10 OVMax= 7.48D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.40D-07    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.08D+00
                    CP:  1.20D+00  1.23D+00  1.24D+00  1.13D+00
 E= -389.407849932370     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 6.88D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -389.407849932370     IErMin=10 ErrMin= 6.88D-08
 ErrMax= 6.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-11 BMatP= 2.95D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-05-0.556D-04 0.954D-04 0.118D-02 0.913D-03-0.681D-02
 Coeff-Com: -0.474D-01-0.381D-01 0.379D+00 0.711D+00
 Coeff:     -0.219D-05-0.556D-04 0.954D-04 0.118D-02 0.913D-03-0.681D-02
 Coeff:     -0.474D-01-0.381D-01 0.379D+00 0.711D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=9.87D-08 MaxDP=5.43D-06 DE=-7.32D-11 OVMax= 1.65D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.78D-08    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.08D+00
                    CP:  1.20D+00  1.24D+00  1.27D+00  1.21D+00  1.04D+00
 E= -389.407849932334     Delta-E=        0.000000000036 Rises=F Damp=F
 DIIS: error= 2.97D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -389.407849932370     IErMin=11 ErrMin= 2.97D-08
 ErrMax= 2.97D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.64D-13 BMatP= 1.08D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-05-0.593D-04 0.516D-05 0.500D-03 0.131D-02 0.766D-03
 Coeff-Com: -0.180D-01-0.412D-01 0.792D-02 0.216D+00 0.832D+00
 Coeff:      0.111D-05-0.593D-04 0.516D-05 0.500D-03 0.131D-02 0.766D-03
 Coeff:     -0.180D-01-0.412D-01 0.792D-02 0.216D+00 0.832D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=3.37D-08 MaxDP=2.74D-06 DE= 3.60D-11 OVMax= 9.31D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.97D-08    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.08D+00
                    CP:  1.20D+00  1.24D+00  1.27D+00  1.23D+00  1.08D+00
                    CP:  1.11D+00
 E= -389.407849932317     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 6.73D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -389.407849932370     IErMin=12 ErrMin= 6.73D-09
 ErrMax= 6.73D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.28D-14 BMatP= 7.64D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.288D-06-0.435D-06-0.570D-05-0.511D-04 0.350D-04 0.508D-03
 Coeff-Com:  0.286D-02-0.168D-02-0.244D-01-0.498D-01 0.635D-01 0.101D+01
 Coeff:      0.288D-06-0.435D-06-0.570D-05-0.511D-04 0.350D-04 0.508D-03
 Coeff:      0.286D-02-0.168D-02-0.244D-01-0.498D-01 0.635D-01 0.101D+01
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=5.25D-07 DE= 1.72D-11 OVMax= 2.44D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  5.35D-09    CP:  1.45D+00  1.17D+00  1.10D+00  1.11D+00  1.08D+00
                    CP:  1.20D+00  1.24D+00  1.27D+00  1.22D+00  1.08D+00
                    CP:  1.18D+00  1.20D+00
 E= -389.407849932332     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.11D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=10 EnMin= -389.407849932370     IErMin=13 ErrMin= 2.11D-09
 ErrMax= 2.11D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.74D-15 BMatP= 4.28D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-07 0.475D-05-0.261D-05-0.615D-04-0.963D-04 0.116D-03
 Coeff-Com:  0.267D-02 0.255D-02-0.932D-02-0.385D-01-0.479D-01 0.378D+00
 Coeff-Com:  0.713D+00
 Coeff:      0.183D-07 0.475D-05-0.261D-05-0.615D-04-0.963D-04 0.116D-03
 Coeff:      0.267D-02 0.255D-02-0.932D-02-0.385D-01-0.479D-01 0.378D+00
 Coeff:      0.713D+00
 Gap=     0.329 Goal=   None    Shift=    0.000
 RMSDP=3.21D-09 MaxDP=2.17D-07 DE=-1.50D-11 OVMax= 4.81D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -389.407849932     A.U. after   13 cycles
            NFock= 13  Conv=0.32D-08     -V/T= 2.0051
 KE= 3.874362314358D+02 PE=-2.000835164486D+03 EE= 6.751571164510D+02
 Leave Link  502 at Fri Jul 16 19:24:19 2021, MaxMem=  5637144576 cpu:            4818.6 elap:             606.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.89241412D+02

 Leave Link  801 at Fri Jul 16 19:24:20 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 2.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 1.51D-01 4.20D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 3.23D-02 3.88D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 2.90D-03 7.01D-03.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 2.25D-04 2.69D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 1.67D-05 6.98D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 7.21D-07 1.39D-04.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 2.15D-08 2.08D-05.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 7.59D-10 4.50D-06.
     11 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 1.86D-11 5.80D-07.
      8 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 3.13D-13 6.74D-08.
      2 vectors produced by pass 11 Test12= 2.13D-13 8.33D-09 XBig12= 1.53D-14 9.31D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.149247D+03
      2 -0.502022D+01  0.114528D+03
      3 -0.287034D+01  0.129429D+01  0.103034D+03
 Isotropic polarizability for W=    0.085645      122.27 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.406396D+02 -0.127279D+02  0.851387D+01
      2   0.463314D+01  0.106354D+02 -0.187142D+02
      3   0.360065D+02  0.209251D+01  0.102003D+02
      4  -0.362717D+02 -0.219414D+02 -0.892530D+01
      5   0.180237D+02 -0.116261D+02  0.328412D+02
      6   0.377893D+01 -0.169025D+01 -0.875768D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.505663D+01  0.876949D+00  0.210030D+01
      2   0.267280D+02 -0.539858D+01  0.943960D+01
      3  -0.191075D+02  0.100844D+02  0.824164D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.270083D+01  0.170239D+02  0.108502D+02
      2  -0.950984D+01 -0.127042D+02 -0.316528D+01
      3  -0.235438D+02  0.265745D+02  0.154051D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.746319D+00 -0.596197D+01  0.266510D+01
      2  -0.596197D+01 -0.158356D+01 -0.195485D+01
      3   0.266510D+01 -0.195485D+01 -0.137634D+01
 OR G Eigenvalues:    -6.5014    -2.6746     6.9624  Iso=     0.7379
 Eigenvectors:
   (1)   0.644213   0.763594  -0.043742
   (2)  -0.255370   0.268649   0.928770
   (3)   0.720955  -0.587156   0.368066
 w=    0.085645 a.u., Optical Rotation Beta=      0.7379 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =      256.86 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 1.91D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.64D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 3.96D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.54D-02 1.96D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 1.66D-03 4.74D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 3.05D-05 6.58D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 6.05D-07 7.73D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 6.95D-09 9.63D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 9.56D-11 7.96D-07.
     30 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 8.11D-13 6.83D-08.
     15 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 9.12D-15 6.70D-09.
      6 vectors produced by pass  9 Test12= 3.55D-14 2.78D-09 XBig12= 3.28D-15 4.77D-09.
      3 vectors produced by pass 10 Test12= 3.55D-14 2.78D-09 XBig12= 2.39D-15 3.72D-09.
      3 vectors produced by pass 11 Test12= 3.55D-14 2.78D-09 XBig12= 1.67D-15 4.22D-09.
      3 vectors produced by pass 12 Test12= 3.55D-14 2.78D-09 XBig12= 1.73D-15 4.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   270 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 3.88D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 3.88D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.17D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149247D+03 -0.502022D+01 -0.287034D+01
      2  -0.502022D+01  0.114528D+03  0.129429D+01
      3  -0.287034D+01  0.129429D+01  0.103034D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.505663D+01  0.876949D+00  0.210030D+01
      2   0.267280D+02 -0.539858D+01  0.943960D+01
      3  -0.191075D+02  0.100844D+02  0.824164D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.406396D+02 -0.127279D+02  0.851387D+01
      2   0.463314D+01  0.106354D+02 -0.187142D+02
      3   0.360065D+02  0.209251D+01  0.102003D+02
      4  -0.362717D+02 -0.219414D+02 -0.892530D+01
      5   0.180237D+02 -0.116261D+02  0.328412D+02
      6   0.377893D+01 -0.169025D+01 -0.875768D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.233745D+02 -0.662121D+00 -0.107782D+01 -0.295428D+01 -0.162113D+01
      2  -0.662121D+00  0.205956D+00 -0.152243D+00 -0.162113D+01 -0.580169D+01
      3  -0.107782D+01 -0.152243D+00 -0.409674D+01  0.510205D+00 -0.107830D+01
                 6             7             8             9            10 
      1   0.510205D+00 -0.513904D+01 -0.216949D+01 -0.542897D+01 -0.316020D+01
      2  -0.107830D+01 -0.216949D+01  0.488108D+00  0.145400D+01  0.227334D+01
      3   0.732957D+00 -0.542897D+01  0.145400D+01  0.301349D+01 -0.567473D-01
                11            12            13            14            15 
      1   0.227334D+01 -0.567473D-01 -0.308883D+00 -0.224613D+01  0.666113D+00
      2  -0.123211D+01  0.270772D+01 -0.224613D+01  0.535478D+01  0.148051D+01
      3   0.270772D+01 -0.198426D+01  0.666113D+00  0.148051D+01  0.462524D+00
                16            17            18            19            20 
      1  -0.999297D+00  0.418486D+01 -0.113776D+01  0.271623D+02 -0.383670D+01
      2   0.418486D+01  0.229504D+01  0.807897D-01 -0.383670D+01  0.471284D+01
      3  -0.113776D+01  0.807897D-01  0.148578D+01 -0.228615D+01 -0.249435D+00
                21            22            23            24            25 
      1  -0.228615D+01 -0.610068D+01  0.456937D+01  0.750280D+00 -0.653486D+01
      2  -0.249435D+00  0.456937D+01  0.392012D+01  0.286676D+00 -0.152464D+00
      3   0.219395D+01  0.750280D+00  0.286676D+00 -0.247678D+01  0.390624D+01
                26            27            28            29            30 
      1  -0.152464D+00  0.390624D+01 -0.232833D+02  0.451922D+01  0.280894D+01
      2  -0.578332D+00 -0.297112D+01  0.451922D+01 -0.384427D+01 -0.743078D+00
      3  -0.297112D+01 -0.414504D+01  0.280894D+01 -0.743078D+00 -0.351614D+01
                31            32            33            34            35 
      1   0.984380D+01 -0.631415D+01 -0.584401D+00  0.745562D+01 -0.125868D+01
      2  -0.631415D+01  0.151361D+01  0.824810D-01 -0.125868D+01  0.977030D+00
      3  -0.584401D+00  0.824810D-01  0.224320D+01 -0.461198D+01  0.858883D+00
                36            37            38            39            40 
      1  -0.461198D+01  0.128337D+02 -0.286606D+01 -0.118404D+00 -0.313815D+01
      2   0.858883D+00 -0.286606D+01 -0.498182D-01 -0.484988D+00  0.146795D+01
      3   0.240529D+01 -0.118404D+00 -0.484988D+00  0.282404D+01 -0.518049D+00
                41            42            43            44            45 
      1   0.146795D+01 -0.518049D+00 -0.474665D+00 -0.206906D+00  0.634564D+01
      2   0.645751D+01  0.135266D+01 -0.206906D+00  0.160476D+01 -0.127048D+01
      3   0.135266D+01 -0.148287D+01  0.634564D+01 -0.127048D+01 -0.495531D+01
                46            47            48            49            50 
      1  -0.473907D+00 -0.330738D+01 -0.188718D+01 -0.518277D+01  0.497990D+01
      2  -0.330738D+01  0.197191D+01  0.110495D+00  0.497990D+01 -0.140610D+01
      3  -0.188718D+01  0.110495D+00  0.265081D+01 -0.285899D+00  0.754500D+00
                51            52            53            54            55 
      1  -0.285899D+00 -0.209218D+01 -0.775128D+00  0.465239D+01  0.209734D+01
      2   0.754500D+00 -0.775128D+00  0.243335D+01 -0.352483D+01  0.123833D+01
      3  -0.244973D+01  0.465239D+01 -0.352483D+01  0.212921D+01  0.946078D+00
                56            57            58            59            60 
      1   0.123833D+01  0.946078D+00  0.166189D+01 -0.816432D+00 -0.149589D+00
      2  -0.235278D+00  0.166575D+00 -0.816432D+00 -0.763722D+01 -0.158076D+00
      3   0.166575D+00 -0.928628D+00 -0.149589D+00 -0.158076D+00  0.121873D+01
                61            62            63            64            65 
      1   0.134621D+01  0.348185D+00 -0.105782D+01  0.143479D+02 -0.127310D+01
      2   0.348185D+00  0.362731D+00  0.402820D+00 -0.127310D+01  0.207799D+01
      3  -0.105782D+01  0.402820D+00 -0.532921D+01  0.413791D+01 -0.641290D+00
                66            67            68            69            70 
      1   0.413791D+01  0.201225D+01  0.580384D+01  0.637560D+00  0.122625D+02
      2  -0.641290D+00  0.580384D+01 -0.404905D+01  0.107296D+01 -0.181717D+00
      3   0.306944D+01  0.637560D+00  0.107296D+01  0.766734D+00  0.445727D+01
                71            72            73            74            75 
      1  -0.181717D+00  0.445727D+01  0.436729D+01 -0.104725D+01 -0.189817D+01
      2   0.523281D+00  0.935349D+00 -0.104725D+01  0.396045D+00  0.497863D+00
      3   0.935349D+00 -0.996371D+00 -0.189817D+01  0.497863D+00  0.248543D+01
                76            77            78            79            80 
      1  -0.301361D+01  0.283085D+00  0.308722D+00 -0.251105D+01  0.601905D+00
      2   0.283085D+00 -0.736985D+00 -0.140817D+01  0.601905D+00 -0.188817D+01
      3   0.308722D+00 -0.140817D+01 -0.225998D+01  0.305350D+01 -0.257476D+01
                81            82            83            84            85 
      1   0.305350D+01  0.297253D+01  0.145518D+01 -0.124671D+01  0.119613D+01
      2  -0.257476D+01  0.145518D+01  0.186154D+01 -0.149559D+01  0.144471D+01
      3  -0.820197D+01 -0.124671D+01 -0.149559D+01  0.186397D+01 -0.130477D+01
                86            87            88            89            90 
      1   0.144471D+01 -0.130477D+01 -0.203468D+01 -0.175090D+01  0.149132D+01
      2   0.419800D+01 -0.230078D+01 -0.175090D+01 -0.268031D+01  0.208201D+01
      3  -0.230078D+01  0.208207D+01  0.149132D+01  0.208201D+01 -0.282355D+01
                91            92            93            94            95 
      1   0.188490D+00 -0.146296D+01 -0.613133D+00 -0.187711D+01 -0.133130D+01
      2  -0.146296D+01 -0.104939D+01  0.127876D+00 -0.133130D+01 -0.103064D+02
      3  -0.613133D+00  0.127876D+00  0.214295D+00 -0.466546D-01 -0.172701D+01
                96            97            98            99           100 
      1  -0.466546D-01 -0.212303D+01  0.260799D+00 -0.599208D+00 -0.545528D+00
      2  -0.172701D+01  0.260799D+00 -0.806311D+00 -0.503812D+00 -0.612736D+00
      3  -0.125105D+01 -0.599208D+00 -0.503812D+00 -0.109622D+00 -0.348976D+00
               101           102           103           104           105 
      1  -0.612736D+00 -0.348976D+00 -0.296870D+01 -0.325033D+01 -0.607239D-01
      2  -0.354308D+00 -0.471878D-01 -0.325033D+01 -0.835476D+01 -0.476175D+00
      3  -0.471878D-01 -0.232201D+00 -0.607239D-01 -0.476175D+00 -0.116274D+01
               106           107           108           109           110 
      1  -0.910114D+00 -0.436417D+00 -0.782400D+00 -0.112885D+02  0.127115D+01
      2  -0.436417D+00 -0.105160D+01 -0.875317D+00  0.127115D+01 -0.118093D+01
      3  -0.782400D+00 -0.875317D+00 -0.502038D-01 -0.211163D+01  0.605439D+00
               111           112           113           114           115 
      1  -0.211163D+01  0.515240D+01 -0.152573D+01  0.654287D+00 -0.522480D+01
      2   0.605439D+00 -0.152573D+01  0.775259D+00 -0.848321D+00  0.590778D+00
      3  -0.181502D+01  0.654287D+00 -0.848321D+00  0.102640D+01 -0.318594D+01
               116           117           118           119           120 
      1   0.590778D+00 -0.318594D+01 -0.478944D+01  0.144743D+00  0.190823D+01
      2  -0.120714D+01  0.709910D+00  0.144743D+00 -0.202717D+00  0.726986D-01
      3   0.709910D+00 -0.125526D+01  0.190823D+01  0.726986D-01 -0.190071D+01
               121           122           123           124           125 
      1   0.237702D+01 -0.808297D+00 -0.660551D+00  0.595710D+01  0.592659D+00
      2  -0.808297D+00 -0.217701D+00  0.812024D+00  0.592659D+00  0.117503D+01
      3  -0.660551D+00  0.812024D+00  0.101319D+01 -0.512190D+01  0.324909D+00
               126           127           128           129           130 
      1  -0.512190D+01 -0.544445D+01  0.254697D+01  0.245778D+01  0.235536D+01
      2   0.324909D+00  0.254697D+01 -0.241766D+01 -0.102166D+01 -0.207402D+01
      3   0.732702D+01  0.245778D+01 -0.102166D+01 -0.182822D+01 -0.834748D+00
               131           132           133           134           135 
      1  -0.207402D+01 -0.834748D+00  0.405970D+01 -0.145147D+01 -0.292710D+01
      2   0.194238D+01  0.112547D+01 -0.145147D+01  0.178024D+01  0.214573D+01
      3   0.112547D+01  0.126003D+01 -0.292710D+01  0.214573D+01  0.255209D+01
               136           137           138           139           140 
      1  -0.231398D+01  0.206166D+01 -0.106683D+01  0.206763D+01 -0.219869D+01
      2   0.206166D+01 -0.171404D+01  0.677453D+00 -0.219869D+01  0.370257D+01
      3  -0.106683D+01  0.677453D+00 -0.122679D+01  0.100365D+01 -0.210134D+01
               141           142           143           144           145 
      1   0.100365D+01 -0.291485D+01  0.221498D+01 -0.309751D+01  0.362394D-02
      2  -0.210134D+01  0.221498D+01 -0.452839D+01  0.320797D+01 -0.169695D+00
      3   0.183555D+01 -0.309751D+01  0.320797D+01 -0.470421D+01  0.622497D+00
               146           147           148           149           150 
      1  -0.169695D+00  0.622497D+00 -0.748870D+00  0.473407D+00 -0.207515D+00
      2   0.243496D+00  0.179605D-01  0.473407D+00  0.398693D+00  0.871338D+00
      3   0.179605D-01  0.537349D+00 -0.207515D+00  0.871338D+00 -0.654501D+00
               151           152           153           154           155 
      1   0.166425D+01 -0.394624D+00  0.651108D+00  0.282945D+00  0.115730D+01
      2  -0.394624D+00  0.164195D+01  0.112065D+01  0.115730D+01  0.597018D+00
      3   0.651108D+00  0.112065D+01  0.703784D+01 -0.110991D+00  0.684241D-01
               156           157           158           159           160 
      1  -0.110991D+00  0.125737D+01  0.347788D+00  0.707973D-01 -0.487353D+00
      2   0.684241D-01  0.347788D+00  0.121716D+02  0.544360D+00  0.600001D-01
      3   0.208416D+00  0.707973D-01  0.544360D+00  0.906847D+00  0.130776D+00
               161           162           163           164           165 
      1   0.600001D-01  0.130776D+00  0.412093D+01  0.284673D+00 -0.314711D+01
      2  -0.102843D+01  0.111223D+01  0.284673D+00 -0.323878D+01 -0.624425D+00
      3   0.111223D+01  0.373019D+00 -0.314711D+01 -0.624425D+00 -0.179414D+01
               166           167           168           169           170 
      1  -0.984741D-01 -0.469020D+01 -0.852440D+00 -0.438967D+01 -0.612425D+00
      2  -0.469020D+01  0.557625D+01 -0.326968D+01 -0.612425D+00 -0.196779D+01
      3  -0.852440D+00 -0.326968D+01 -0.311410D+01 -0.279016D+01 -0.251461D+01
               171           172           173           174           175 
      1  -0.279016D+01 -0.371461D+01 -0.635633D+00 -0.334637D+01 -0.139348D+01
      2  -0.251461D+01 -0.635633D+00 -0.378377D+01 -0.972406D+00 -0.610878D+01
      3  -0.826702D+00 -0.334637D+01 -0.972406D+00 -0.132040D+01 -0.141986D+01
               176           177           178           179           180 
      1  -0.610878D+01 -0.141986D+01 -0.394888D+01 -0.145291D+01 -0.252327D+01
      2   0.512115D+01 -0.168551D+00 -0.145291D+01 -0.620176D+00 -0.285478D+01
      3  -0.168551D+00 -0.283728D+01 -0.252327D+01 -0.285478D+01  0.482986D+01
               181           182           183           184           185 
      1  -0.597341D+01 -0.262273D+00  0.113051D+01 -0.448837D+00 -0.109947D+00
      2  -0.262273D+00 -0.853700D+00  0.686205D+00 -0.109947D+00 -0.732710D+00
      3   0.113051D+01  0.686205D+00 -0.268383D+01  0.306902D+00  0.646621D+00
               186           187           188           189           190 
      1   0.306902D+00  0.103476D+01  0.337164D+00 -0.120646D+01  0.285650D+01
      2   0.646621D+00  0.337164D+00  0.641955D+00  0.741639D-01  0.725754D+00
      3   0.124970D+00 -0.120646D+01  0.741639D-01  0.148805D+01  0.270554D+01
               191           192           193           194           195 
      1   0.725754D+00  0.270554D+01  0.215513D+01  0.162765D+01  0.190504D+01
      2   0.136117D+01  0.647638D+00  0.162765D+01  0.128477D+01  0.188289D+01
      3   0.647638D+00  0.318120D+01  0.190504D+01  0.188289D+01  0.379335D+01
               196           197           198           199           200 
      1   0.213629D+01  0.789459D+00  0.287007D+01  0.168902D+01 -0.182187D+01
      2   0.789459D+00  0.137858D+01  0.154912D+01 -0.182187D+01  0.241909D+01
      3   0.287007D+01  0.154912D+01  0.549585D+01  0.126842D+01 -0.805042D+00
               201           202           203           204           205 
      1   0.126842D+01 -0.256283D+01  0.330283D+01 -0.110420D+01  0.482977D+00
      2  -0.805042D+00  0.330283D+01 -0.779630D+01  0.295115D+01 -0.236114D+00
      3   0.137049D+01 -0.110420D+01  0.295115D+01 -0.219209D+01  0.853437D+00
               206           207           208           209           210 
      1  -0.236114D+00  0.853437D+00  0.459180D+00  0.479404D+00 -0.808388D+00
      2   0.938555D+00 -0.946405D+00  0.479404D+00  0.448880D+00 -0.460641D-01
      3  -0.946405D+00  0.978231D+00 -0.808388D+00 -0.460641D-01  0.828621D+00
               211           212           213           214           215 
      1   0.131199D+01  0.102453D+01 -0.545116D+00 -0.299410D+01 -0.214559D+00
      2   0.102453D+01  0.388695D+00 -0.102861D+01 -0.214559D+00 -0.137316D+01
      3  -0.545116D+00 -0.102861D+01  0.197611D+01  0.273536D+01  0.147847D+01
               216           217           218           219           220 
      1   0.273536D+01  0.351222D+01 -0.206908D+01  0.150354D+00 -0.537362D+01
      2   0.147847D+01 -0.206908D+01  0.219757D+01  0.142608D+00  0.484658D+01
      3  -0.705231D+01  0.150354D+00  0.142608D+00  0.413077D+00  0.615270D+00
               221           222           223           224           225 
      1   0.484658D+01  0.615270D+00  0.934407D+00  0.563335D-01  0.100937D+01
      2  -0.730378D+01 -0.237789D+00  0.563335D-01  0.139341D+00 -0.600583D+00
      3  -0.237789D+00 -0.112235D+01  0.100937D+01 -0.600583D+00 -0.345009D+00
               226           227           228           229           230 
      1   0.746788D+01  0.186914D+01  0.198833D+01  0.477934D+01  0.292348D+01
      2   0.186914D+01  0.166329D+01  0.754458D+00  0.292348D+01  0.153734D+01
      3   0.198833D+01  0.754458D+00  0.148597D+01  0.114570D+01  0.939153D+00
               231           232           233           234 
      1   0.114570D+01  0.544470D+01  0.125669D+01  0.231399D+01
      2   0.939153D+00  0.125669D+01  0.134983D+01  0.109969D+01
      3   0.156080D+01  0.231399D+01  0.109969D+01  0.167904D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.327338D+01 -0.993454D+00 -0.228339D+01 -0.154559D+01  0.695845D+01
      2  -0.321266D+02  0.370634D+00 -0.332162D+01 -0.332945D+01 -0.395327D+01
      3   0.320993D+02 -0.496302D+01  0.130835D+01  0.180479D+02  0.861348D+01
                 6             7             8             9            10 
      1   0.720618D+00  0.805184D+00  0.396462D+01  0.224322D+01  0.169940D+01
      2  -0.277096D+00 -0.212225D+02 -0.171909D+01 -0.516911D+01 -0.360524D+01
      3   0.274476D+01  0.110507D+02 -0.117490D+01  0.554632D+01 -0.681510D+01
                11            12            13            14            15 
      1  -0.279906D+01 -0.486428D+00 -0.202336D+00 -0.798717D+01 -0.434964D+01
      2   0.613512D+01  0.102080D+01 -0.611483D+00  0.142328D+01  0.177777D+01
      3  -0.243578D+01 -0.552000D+01  0.113130D+02 -0.133727D+02 -0.984742D-01
                16            17            18            19            20 
      1  -0.121950D+01  0.305525D+01 -0.235227D+01  0.305109D+00  0.114100D+00
      2  -0.468755D+01  0.641433D+01  0.191430D+01  0.261162D+02 -0.265134D+01
      3  -0.126747D+02  0.155284D+00 -0.291884D+01 -0.482697D+02  0.127689D+02
                21            22            23            24            25 
      1   0.461390D+01  0.250143D+01 -0.399207D+01 -0.325538D+01  0.939796D+01
      2  -0.410965D+01 -0.757267D+01  0.474531D+01  0.239083D+01 -0.250665D+02
      3   0.283149D+01  0.233552D+02 -0.651475D+01 -0.333026D+01  0.119688D+02
                26            27            28            29            30 
      1   0.917916D+00 -0.339383D+01  0.513745D+00  0.943333D+00 -0.333962D+01
      2   0.287376D+01  0.777340D+01 -0.259810D+02  0.310425D+01  0.720050D+01
      3  -0.392949D+01 -0.100197D+02  0.421041D+02 -0.169662D+02 -0.573965D+01
                31            32            33            34            35 
      1   0.163678D+01  0.712230D+00  0.194322D+01 -0.738417D+01  0.101293D+02
      2   0.115486D+02 -0.356679D+01 -0.365437D+01  0.262264D+01 -0.243695D+01
      3  -0.187401D+02  0.902609D+01 -0.129916D+01 -0.155456D+02  0.177860D+01
                36            37            38            39            40 
      1   0.370869D+01 -0.881864D+00  0.214752D+00  0.106943D+01  0.746574D+00
      2  -0.587731D+01 -0.202341D+01  0.255485D+01 -0.912671D+01  0.380705D+01
      3   0.755372D+01 -0.233162D+02  0.121071D+01 -0.152719D+01  0.130209D+02
                41            42            43            44            45 
      1   0.316343D+01 -0.273822D+01  0.583160D+01  0.653714D+00 -0.499375D+01
      2  -0.565537D+01  0.563375D+01 -0.333885D+02  0.548435D+01  0.208142D+02
      3   0.232632D+02  0.572038D+01 -0.288928D+01  0.690053D+01 -0.114286D+02
                46            47            48            49            50 
      1   0.328918D+01  0.280699D+00 -0.448363D+01  0.200958D+01 -0.206486D+01
      2   0.667036D+01 -0.197137D+01 -0.455436D+01 -0.179374D+01 -0.267697D+00
      3  -0.898062D+01 -0.553846D+01 -0.442989D+01  0.104600D+02 -0.573594D+01
                51            52            53            54            55 
      1   0.248784D+01 -0.119374D+02  0.120615D+02 -0.218909D+01 -0.182778D+01
      2   0.505563D+01 -0.150707D+02  0.822716D+01 -0.270659D+01 -0.305435D+01
      3   0.288980D+01 -0.668477D+01  0.838378D+01 -0.268233D+01  0.928901D+01
                56            57            58            59            60 
      1  -0.100302D+01  0.232141D+01  0.419144D+00 -0.738433D+01 -0.508478D+01
      2  -0.279914D+00  0.153979D+01 -0.239355D+01  0.132165D+01 -0.564591D+00
      3   0.552300D+01  0.389503D+01  0.114118D+02 -0.526238D+01  0.483882D+00
                61            62            63            64            65 
      1   0.298051D+01  0.297896D+01  0.127517D+02 -0.699373D+00  0.261777D+01
      2  -0.138329D+01 -0.124936D+01  0.274701D+01  0.272541D+02 -0.207951D+01
      3   0.372842D+01 -0.375919D-01 -0.108418D+01 -0.819175D+01 -0.104096D+02
                66            67            68            69            70 
      1   0.206399D+01 -0.481909D+01  0.264265D+01 -0.417545D+01 -0.227550D+01
      2   0.117829D+02  0.609690D+01  0.404575D+01  0.322469D+01  0.102053D+02
      3  -0.353262D+00 -0.150025D+02  0.847822D+01 -0.230143D+01 -0.988678D+01
                71            72            73            74            75 
      1   0.525187D+01 -0.136055D-02 -0.168651D+01 -0.459275D+00  0.144917D+01
      2   0.398353D+01 -0.983798D-01  0.542150D+01 -0.926272D+00  0.112013D+01
      3  -0.190897D+01 -0.593952D+01 -0.430905D+01 -0.114819D+01  0.942436D+00
                76            77            78            79            80 
      1   0.405153D+00  0.711130D-01 -0.937402D+00  0.209984D+01  0.373929D+01
      2  -0.404557D+01 -0.842221D+00 -0.141746D+01 -0.352540D+01 -0.908633D+00
      3   0.773458D+01 -0.465941D+00  0.277074D+00  0.153440D+01  0.186013D+01
                81            82            83            84            85 
      1  -0.248961D+01  0.549683D+00 -0.807415D-01 -0.189170D+01  0.429876D+00
      2  -0.236133D+01  0.229155D+01 -0.925280D+00  0.238453D+01 -0.361237D+00
      3  -0.907480D+00  0.139427D+01 -0.240325D+01  0.179299D+00  0.381143D+01
                86            87            88            89            90 
      1  -0.130444D+01 -0.301901D+01 -0.908186D+00  0.856641D+00  0.276439D+01
      2  -0.110526D+01  0.134045D+01 -0.226832D+01  0.369570D-01 -0.216513D+01
      3  -0.400831D+01  0.115053D+01 -0.642956D+00  0.209523D+01  0.171151D-01
                91            92            93            94            95 
      1  -0.780595D+00  0.123487D+01 -0.440611D+00  0.104928D+01  0.619952D+01
      2   0.362219D+00 -0.123637D+01 -0.999666D-01 -0.178430D+01 -0.680913D+00
      3  -0.421459D+00 -0.276688D+00  0.900822D+00  0.497206D+01 -0.759457D+01
                96            97            98            99           100 
      1  -0.458805D+01 -0.379875D+01  0.120419D+01  0.951145D+00 -0.737063D+00
      2   0.169314D+01 -0.251939D+01  0.782410D-01 -0.729539D+00  0.130184D+01
      3  -0.948552D+00  0.595545D+01 -0.904533D+00  0.387960D+00 -0.282162D+01
               101           102           103           104           105 
      1  -0.513564D+00 -0.118249D+00 -0.495599D+00 -0.214538D+01 -0.429349D+01
      2   0.369761D+00  0.146206D+01  0.160846D+00  0.167505D+01  0.462873D+01
      3  -0.237633D+01  0.377448D+00 -0.439024D+01 -0.271624D+02 -0.196056D+01
               106           107           108           109           110 
      1  -0.115092D+00 -0.974707D-01 -0.496440D+00 -0.115862D+00  0.867919D+00
      2   0.128586D+01  0.224112D+01  0.299251D-01  0.818170D+01 -0.216308D+01
      3  -0.158718D+00 -0.339007D+01 -0.170444D+01  0.151403D+02 -0.821322D+01
               111           112           113           114           115 
      1  -0.107011D+01  0.289597D+00 -0.919088D+00 -0.199610D+00 -0.120782D+01
      2   0.946516D+01 -0.348164D+01  0.302605D+01 -0.442498D+01  0.113038D+02
      3   0.428135D+01 -0.828044D+01  0.441271D+01 -0.366118D+01  0.663192D+01
               116           117           118           119           120 
      1   0.156673D+01 -0.741058D+00  0.206311D+01 -0.660222D+00 -0.175972D+01
      2  -0.285367D+01  0.500607D+01 -0.653535D+01 -0.652476D+00  0.811742D+01
      3  -0.622232D+01  0.537687D+01  0.626281D+01 -0.226819D+01 -0.203867D+01
               121           122           123           124           125 
      1  -0.919568D+00  0.943456D+00  0.414537D+00 -0.327340D+01  0.337434D+01
      2   0.201617D+01 -0.258277D+01 -0.396094D+01  0.172797D+02 -0.129730D+01
      3  -0.258685D+01  0.301534D-01  0.283691D+01 -0.423825D+01  0.517197D+01
               126           127           128           129           130 
      1   0.688190D+01 -0.445864D+01  0.102656D+01  0.396760D+01  0.976779D+00
      2  -0.280421D+02 -0.510063D+01  0.309519D+01  0.605073D+01  0.191314D+01
      3   0.637974D+01 -0.380707D+01 -0.507395D+01  0.135932D+01  0.937580D+00
               131           132           133           134           135 
      1  -0.140378D+01 -0.303969D+01  0.502707D+01 -0.140084D+01 -0.451023D+01
      2  -0.265605D+01 -0.355117D+01  0.412451D+01 -0.493646D+01 -0.660858D+01
      3   0.780278D+00  0.760239D+00  0.526731D+01  0.241850D+01  0.275904D+00
               136           137           138           139           140 
      1   0.167707D+01 -0.109083D+01  0.228105D+01 -0.123205D+01  0.206511D+01
      2   0.130599D+01 -0.623160D+00  0.390288D+01 -0.262533D+00  0.318888D+01
      3   0.133875D+01 -0.186175D+01  0.391949D+00 -0.500147D+00  0.697898D+01
               141           142           143           144           145 
      1  -0.472901D+01  0.607507D+01 -0.419959D+01  0.809394D+01 -0.244963D+01
      2  -0.408530D+01  0.413791D+01 -0.605428D+01  0.918372D+01 -0.489569D+00
      3  -0.293133D+01  0.346993D+00 -0.961804D+01  0.325928D+01 -0.135973D+00
               146           147           148           149           150 
      1   0.108419D+01 -0.180775D+01  0.128542D+01 -0.163614D+01  0.186039D+01
      2   0.438430D+00 -0.280604D-02  0.196084D+01 -0.162925D+01  0.923871D+00
      3  -0.286065D+01  0.157624D+01 -0.195477D+01  0.696487D+00  0.114022D+00
               151           152           153           154           155 
      1  -0.226884D+01  0.226190D+01 -0.157371D+02  0.928042D+00  0.368676D+00
      2  -0.445938D+01  0.154700D+00 -0.353675D+01  0.694115D+00 -0.543975D+00
      3   0.487382D+01 -0.672683D+00  0.128599D+01  0.706938D+00  0.107036D+01
               156           157           158           159           160 
      1  -0.623028D+00 -0.167293D+00  0.475063D+01 -0.486200D+01 -0.688650D+00
      2   0.966967D+00 -0.134783D+01 -0.854062D+00 -0.323214D+00 -0.650851D+00
      3  -0.812410D+00  0.755983D+01  0.541159D+01  0.254772D+00 -0.145262D+01
               161           162           163           164           165 
      1  -0.136890D+01 -0.378008D+00 -0.146564D+01 -0.710566D+01 -0.268436D+01
      2  -0.354365D+00 -0.558772D+00 -0.170313D+02 -0.250375D+01  0.721299D+01
      3  -0.747274D+00  0.114151D+01 -0.416918D+01  0.343355D+01  0.413846D+01
               166           167           168           169           170 
      1  -0.107728D+02  0.844480D+01 -0.120882D+02 -0.357348D+01 -0.538881D+01
      2  -0.387002D+01  0.131177D+01 -0.352448D+01 -0.329701D+00 -0.298076D+01
      3   0.107681D+02 -0.707411D+01  0.633169D+01  0.507866D+01  0.476431D+01
               171           172           173           174           175 
      1  -0.671087D+01 -0.112611D+01  0.101666D+01 -0.579116D+00  0.257561D+01
      2   0.431533D+00 -0.143086D+02 -0.375259D+01 -0.659309D+01 -0.532462D+01
      3   0.672886D+01  0.515932D+01  0.143291D+02  0.477325D+01  0.287838D+02
               176           177           178           179           180 
      1  -0.268114D+01 -0.257121D+01 -0.423622D+00  0.112888D+01  0.325375D+01
      2  -0.465060D+01 -0.114839D+02 -0.165153D+02 -0.110090D+02  0.170895D+02
      3  -0.171070D+02  0.124770D+01  0.725579D+01  0.201164D+01  0.117154D+02
               181           182           183           184           185 
      1  -0.297794D-01 -0.266759D+01 -0.147492D+01 -0.127400D+01  0.155673D+00
      2   0.199482D+02  0.920300D+00 -0.402342D+01  0.105110D+01  0.163396D+01
      3   0.701218D+01 -0.442709D+00 -0.132952D+01  0.232872D+01  0.738704D+00
               186           187           188           189           190 
      1  -0.125064D-01 -0.121650D+01  0.221420D+01  0.799576D+00  0.386171D+01
      2  -0.336671D+00 -0.589438D+01 -0.515943D+00  0.386480D+01  0.642016D+00
      3  -0.678016D+00 -0.767326D+00 -0.103641D+00  0.112591D+01 -0.294111D+01
               191           192           193           194           195 
      1   0.444719D+01  0.362920D+01  0.458301D+01  0.544775D+01  0.513342D+01
      2  -0.303578D+00  0.346411D+01 -0.123410D+01  0.141349D+01  0.487329D+01
      3  -0.409561D+01 -0.321539D+01 -0.301193D+01 -0.410240D+01 -0.464371D+01
               196           197           198           199           200 
      1   0.428001D+01  0.622455D+01  0.727461D+01 -0.230136D+01  0.451339D+01
      2  -0.234723D+01  0.126067D+01  0.606443D+01 -0.434472D+00  0.106882D+01
      3  -0.203760D+01 -0.404487D+01 -0.470500D+01  0.158768D+01 -0.429508D+01
               201           202           203           204           205 
      1   0.103885D+01  0.568583D+01 -0.129693D+02  0.521022D+00  0.201746D-01
      2   0.206227D+01  0.348744D+01  0.662124D+00 -0.349859D+01 -0.705485D+00
      3   0.866133D+00 -0.745547D+00  0.116618D+02 -0.435536D+01 -0.409177D+00
               206           207           208           209           210 
      1   0.245213D+01 -0.865002D+00 -0.646802D+00 -0.378294D+00  0.373507D+00
      2  -0.582010D+00  0.636249D+00 -0.333759D+01  0.426153D-01  0.363044D+01
      3  -0.125595D+01  0.765043D+00 -0.179937D+01 -0.204199D+01  0.734128D+00
               211           212           213           214           215 
      1  -0.378040D+00 -0.112512D+01  0.132451D+00  0.740071D+00  0.411637D+01
      2  -0.219640D+00 -0.253149D+01  0.694537D+01  0.363800D+01  0.537596D+01
      3  -0.220046D+01 -0.194067D+01  0.355637D+01  0.115112D+01  0.571369D+01
               216           217           218           219           220 
      1  -0.262844D+01  0.910927D+00 -0.101762D+01  0.842439D+00 -0.112309D+01
      2  -0.233708D+02  0.207190D+01 -0.498748D+00  0.312403D+01 -0.409418D+00
      3  -0.638677D+01  0.583333D+01 -0.889288D+01 -0.698454D+00 -0.119868D+02
               221           222           223           224           225 
      1   0.326399D+01 -0.334883D+01  0.277611D+00  0.528646D+00  0.628701D-01
      2   0.179112D+01 -0.492774D+01  0.231325D+01 -0.142164D+01 -0.806713D+00
      3   0.252469D+02  0.303786D+00 -0.134699D+01 -0.539439D+00  0.129613D+01
               226           227           228           229           230 
      1   0.135640D+00  0.392174D-01 -0.607911D+00 -0.230017D+00  0.146293D+00
      2   0.103318D+02  0.365914D+01  0.884114D+01  0.599972D+01  0.473733D+01
      3  -0.943933D+01 -0.903654D+01 -0.353855D+01 -0.104797D+02 -0.750882D+01
               231           232           233           234 
      1  -0.143828D+01  0.245480D+00  0.103907D+01 -0.651468D+00
      2   0.754298D+01  0.849796D+01  0.470000D+01  0.791025D+01
      3  -0.389815D+01 -0.610861D+01 -0.670390D+01 -0.507877D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.425070D+01  0.972838D+00 -0.743440D+01  0.414259D+01 -0.359749D+01
      2   0.101214D+02 -0.229953D+01 -0.168931D+01 -0.155533D+01  0.665106D+01
      3  -0.143721D+02  0.132669D+01  0.912371D+01 -0.258727D+01 -0.305357D+01
      4   0.149056D+02  0.280322D+01 -0.257498D+01 -0.121752D+01  0.380759D-01
      5   0.206336D+01 -0.351200D+01 -0.100523D+02  0.278963D+01 -0.145464D+01
      6  -0.912395D+00 -0.144095D+01  0.118028D+01  0.772102D-01  0.746620D+01
                 6             7             8             9            10 
      1   0.501237D+01 -0.239451D+02  0.657861D+00  0.925744D+01 -0.757719D+01
      2   0.228815D+00  0.938050D+00  0.350258D+01  0.734758D+01  0.527584D+01
      3  -0.524118D+01  0.230071D+02 -0.416044D+01 -0.166050D+02  0.230135D+01
      4  -0.112300D+01 -0.651730D+01  0.403926D+01  0.767743D+01  0.395702D+01
      5   0.229921D+01 -0.150384D+02  0.544971D+01  0.129091D+02  0.266331D+00
      6  -0.199943D+01  0.819156D+01 -0.226499D+01 -0.962415D+01  0.482231D+01
                11            12            13            14            15 
      1   0.711131D+01 -0.430105D+01  0.749805D+01 -0.108199D+02 -0.169482D+01
      2   0.698139D+00  0.478695D+01 -0.304409D+01  0.119423D+02  0.416654D+01
      3  -0.780945D+01 -0.485902D+00 -0.445396D+01 -0.112237D+01 -0.247171D+01
      4  -0.472878D+01  0.807487D+01 -0.755512D+01  0.609977D+00  0.710185D+01
      5   0.745221D+01 -0.479025D+01  0.163502D+01  0.486871D+01 -0.343811D+01
      6   0.440244D+01 -0.591019D+01  0.682876D+01  0.497870D+01 -0.327819D+01
                16            17            18            19            20 
      1  -0.656473D+01  0.633165D+01 -0.209072D+01 -0.503739D+02  0.133742D+02
      2   0.494029D+01 -0.142386D+01  0.167999D+01  0.177818D+02 -0.107543D+02
      3   0.162444D+01 -0.490779D+01  0.410729D+00  0.325921D+02 -0.261989D+01
      4   0.128433D+02  0.537988D+01 -0.446123D+01 -0.147799D+02 -0.886155D+01
      5  -0.573614D+01 -0.321663D+01  0.452404D+01 -0.173418D+01  0.156167D+01
      6  -0.584218D+01 -0.527752D+01  0.813227D+01  0.474689D+01 -0.118620D+01
                21            22            23            24            25 
      1   0.416878D+01  0.272577D+02  0.568166D+01 -0.297884D+01  0.180007D+02
      2   0.132544D+00 -0.224240D+02 -0.209190D+02 -0.350965D+01 -0.598173D+00
      3  -0.430132D+01 -0.483370D+01  0.152374D+02  0.648849D+01 -0.174025D+02
      4   0.199694D+01 -0.196921D+01 -0.120830D+02 -0.132043D+01  0.357631D+01
      5  -0.270778D+01 -0.566323D+01 -0.286514D+01  0.275365D+01  0.376168D+01
      6  -0.545518D+01 -0.528851D+01 -0.828140D+01  0.562059D+01 -0.113471D+02
                26            27            28            29            30 
      1  -0.330604D+01 -0.235137D+02  0.708147D+02 -0.225400D+02 -0.148726D+02
      2  -0.553567D+01 -0.174043D-01 -0.365411D+02  0.111583D+02  0.350765D+01
      3   0.884171D+01  0.235311D+02 -0.342735D+02  0.113816D+02  0.113650D+02
      4   0.470788D+01  0.238584D+01  0.372853D+01  0.651152D+01  0.116139D+01
      5   0.364460D+01  0.987240D+01 -0.234360D+01  0.339792D+01  0.113008D+02
      6   0.130254D+02  0.121411D+02 -0.452580D+01  0.700141D+01  0.539874D+01
                31            32            33            34            35 
      1  -0.228733D+02  0.815189D+01  0.262756D+01 -0.153975D+02  0.489276D+01
      2   0.907200D+01  0.655937D+01  0.167327D+01  0.522127D+01 -0.162677D+01
      3   0.138013D+02 -0.147113D+02 -0.430082D+01  0.101762D+02 -0.326599D+01
      4   0.150329D+02  0.119825D+01 -0.606458D+00  0.382275D+00  0.125798D+01
      5  -0.136742D+01  0.318277D+01 -0.566781D+01  0.237906D+02 -0.428633D+01
      6   0.584465D+01 -0.530617D+01 -0.376128D+01  0.531592D+01  0.314404D+01
                36            37            38            39            40 
      1   0.103356D+02 -0.649779D+02  0.221163D+02 -0.960699D+01  0.314039D+02
      2  -0.111561D+02  0.397841D+02 -0.123440D+02  0.241499D+01 -0.234103D+02
      3   0.820511D+00  0.251939D+02 -0.977233D+01  0.719199D+01 -0.799366D+01
      4  -0.642528D+00  0.976047D+01  0.220306D+01  0.415171D+01 -0.614328D+01
      5  -0.468319D+01 -0.130181D+02  0.404724D+01 -0.209147D+02  0.546234D+01
      6  -0.613578D+01  0.117365D+01 -0.653990D-01 -0.265649D+01 -0.908029D+00
                41            42            43            44            45 
      1   0.692368D+01  0.787116D+01 -0.169164D+02  0.729395D+01 -0.286990D+02
      2  -0.205219D+02 -0.511333D+01  0.271820D+00 -0.617319D+01  0.265792D+02
      3   0.135983D+02 -0.275784D+01  0.166446D+02 -0.112076D+01  0.211987D+01
      4  -0.390030D+02 -0.824619D+01  0.333116D+01 -0.920685D+01  0.350884D+01
      5  -0.104008D+02  0.109530D+02 -0.506318D+02  0.102429D+02  0.355717D+02
      6  -0.270251D+01  0.267339D+01 -0.722309D+01  0.186859D+01  0.697891D+01
                46            47            48            49            50 
      1   0.681186D+01  0.703081D+01  0.836610D+01  0.667719D+01 -0.121554D+02
      2  -0.444627D+01 -0.321274D+01 -0.360986D+01 -0.639993D+00  0.879488D+01
      3  -0.236559D+01 -0.381807D+01 -0.475625D+01 -0.603720D+01  0.336052D+01
      4   0.160519D+02 -0.148294D+02 -0.651705D+01 -0.249050D+02  0.882108D+01
      5   0.109918D+02 -0.496263D+01 -0.134377D+02  0.126446D+01 -0.408570D+01
      6  -0.869416D+01 -0.293233D+01  0.106813D+02 -0.555050D+01  0.976173D+01
                51            52            53            54            55 
      1  -0.116457D+01  0.789866D+01 -0.507023D+01 -0.593455D+01 -0.955402D+01
      2   0.234538D+01 -0.416502D+01  0.464398D+01  0.854985D+00  0.729652D+01
      3  -0.118080D+01 -0.373364D+01  0.426245D+00  0.507957D+01  0.225750D+01
      4  -0.169454D+01 -0.451516D+00 -0.981279D+01  0.226756D+02  0.243250D+00
      5   0.113477D+02 -0.251730D+02  0.198624D+02 -0.598910D+01 -0.101323D+01
      6  -0.109361D+02  0.204365D+02 -0.222778D+02  0.973054D+01  0.662376D+01
                56            57            58            59            60 
      1   0.199921D+01 -0.104752D+01 -0.248213D+01  0.299410D+02 -0.944289D+00
      2  -0.597832D+01  0.107027D+01 -0.206144D-01 -0.499460D+02 -0.184726D+01
      3   0.397911D+01 -0.227477D-01  0.250275D+01  0.200050D+02  0.279155D+01
      4  -0.400460D+00  0.264966D+01  0.627426D+01  0.445557D+01 -0.696799D+00
      5   0.197960D+01 -0.522924D-02 -0.953567D+00 -0.133826D+01 -0.111784D+00
      6   0.363469D+00 -0.182595D+01 -0.359414D+00 -0.400246D+01  0.420986D+01
                61            62            63            64            65 
      1  -0.149208D+01 -0.116147D+01  0.117564D+02  0.683684D+01 -0.331696D+01
      2   0.137435D+01  0.527934D+01  0.644414D+01 -0.101433D+02 -0.262563D+00
      3   0.117728D+00 -0.411787D+01 -0.182005D+02  0.330645D+01  0.357952D+01
      4  -0.107977D+01  0.910846D+00 -0.495085D+01 -0.820820D+01  0.840210D+01
      5   0.488897D+01 -0.186884D+01  0.440058D+00  0.161969D+02 -0.102243D+01
      6  -0.324631D+01  0.312745D+01 -0.170165D+02 -0.423845D+01  0.313057D+01
                66            67            68            69            70 
      1   0.153115D+02 -0.500765D+01  0.144869D+02 -0.547013D-01  0.216266D+02
      2  -0.964765D+01  0.575869D+00 -0.537035D+01 -0.149181D+01 -0.128869D+02
      3  -0.566383D+01  0.443178D+01 -0.911655D+01  0.154651D+01 -0.873965D+01
      4  -0.296400D+01  0.197771D+02 -0.159682D+02  0.301256D+01 -0.492627D+01
      5   0.102353D+02 -0.465919D-01  0.478346D+01  0.456156D+01  0.183894D+02
      6   0.108971D+01  0.625044D+00 -0.469353D+01  0.250252D+01 -0.291909D+01
                71            72            73            74            75 
      1  -0.684815D+00  0.368722D+01 -0.137507D+01  0.102185D-02  0.421626D+01
      2  -0.177731D+01 -0.814256D+01 -0.546191D+01  0.131313D+01  0.417867D+01
      3   0.246212D+01  0.445534D+01  0.683698D+01 -0.131416D+01 -0.839492D+01
      4   0.228469D+01  0.319578D+01 -0.646760D+01  0.484808D+01  0.387158D+01
      5   0.430870D+01 -0.517188D+01 -0.845274D+01  0.354497D+01  0.129249D+02
      6   0.354836D+01  0.131552D+01  0.439278D+01 -0.247356D+01 -0.401678D+01
                76            77            78            79            80 
      1   0.436885D+01 -0.693949D+01 -0.742620D+01  0.572705D+01 -0.736590D+01
      2  -0.718920D+00  0.148581D+01 -0.492159D+00  0.626442D+01 -0.229173D+01
      3  -0.364993D+01  0.545368D+01  0.791836D+01 -0.119915D+02  0.965762D+01
      4   0.440352D+01 -0.213851D+01 -0.399950D+01  0.523699D+01 -0.429096D+01
      5   0.400346D+01 -0.396875D+01 -0.472956D+01  0.141807D+02 -0.599866D+01
      6  -0.276375D+01  0.590585D+01  0.103177D+02 -0.460853D+01  0.104215D+02
                81            82            83            84            85 
      1  -0.262706D+02  0.642018D+01 -0.172059D+01  0.779040D+00 -0.834861D+00
      2  -0.145029D+02 -0.226415D+01  0.302922D+01 -0.324264D+00  0.293396D+01
      3   0.407734D+02 -0.415603D+01 -0.130863D+01 -0.454776D+00 -0.209910D+01
      4  -0.756153D+01  0.112194D+02  0.127140D+02 -0.828543D+01  0.112981D+02
      5  -0.193771D+02 -0.712569D+01 -0.670021D+01  0.890506D+01 -0.563285D+01
      6   0.166450D+02 -0.768353D+01 -0.689387D+01  0.692147D+01 -0.708336D+01
                86            87            88            89            90 
      1  -0.107269D+02  0.508490D+01 -0.282027D+00  0.503122D+01 -0.668479D+01
      2   0.139098D+02 -0.484657D+01  0.235201D+00 -0.468697D+01  0.137353D+00
      3  -0.318290D+01 -0.238329D+00  0.468265D-01 -0.344253D+00  0.654743D+01
      4   0.162155D+02 -0.931744D+01 -0.877039D+01 -0.985036D+01  0.986202D+01
      5  -0.747613D+01  0.612123D+01  0.788524D+01  0.723041D+01 -0.938664D+01
      6  -0.149676D+02  0.130618D+02  0.764426D+01  0.133786D+02 -0.135450D+02
                91            92            93            94            95 
      1  -0.251501D+01  0.560290D+00  0.179075D+01  0.174424D+01 -0.330456D+02
      2   0.393615D+01  0.318062D+01 -0.580289D+00  0.221059D+01  0.480890D+02
      3  -0.142114D+01 -0.374091D+01 -0.121046D+01 -0.395483D+01 -0.150434D+02
      4   0.297440D+01  0.100771D+02  0.134539D+01  0.963145D+01  0.201582D+02
      5   0.105800D+01  0.177602D+01  0.172859D+01  0.243229D+01  0.528179D+01
      6   0.363050D+01  0.184206D-01  0.537601D-01  0.137227D+01  0.160126D+02
                96            97            98            99           100 
      1  -0.700311D+01  0.349069D+01 -0.373930D+01 -0.120622D+01  0.454257D+01
      2   0.647083D+01 -0.322653D+01  0.406637D+01  0.284696D+01  0.425109D+00
      3   0.532288D+00 -0.264155D+00 -0.327068D+00 -0.164074D+01 -0.496768D+01
      4   0.335035D+01  0.142622D+01 -0.161878D+00  0.974199D+00  0.559223D+01
      5   0.362223D+01  0.237666D+01  0.125545D+01 -0.151003D+00  0.232052D+01
      6   0.100660D+02  0.323762D+01  0.499074D+01  0.162649D+01  0.690102D+00
               101           102           103           104           105 
      1   0.529876D+01  0.237089D+01  0.115853D+02 -0.686523D+01 -0.891136D+00
      2  -0.183333D+01 -0.972464D+00  0.319680D+01  0.308638D+02  0.188883D+01
      3  -0.346543D+01 -0.139843D+01 -0.147821D+02 -0.239985D+02 -0.997696D+00
      4   0.882937D+01  0.797316D+00  0.277106D+02  0.562239D+02  0.361492D+01
      5   0.131526D+00  0.299030D+01  0.732687D+00  0.460861D+01  0.873685D+01
      6   0.117443D+00  0.195627D+00  0.439318D+00  0.144763D+00  0.710269D+01
               106           107           108           109           110 
      1   0.490864D+01 -0.973841D+00  0.325232D+00  0.851790D+02 -0.116719D+02
      2  -0.115674D+01  0.271909D+01  0.295791D+00 -0.463388D+02  0.777451D+01
      3  -0.375190D+01 -0.174525D+01 -0.621023D+00 -0.388402D+02  0.389743D+01
      4   0.365029D+01  0.737562D+01  0.541170D+01 -0.661305D+00  0.111663D+02
      5   0.684436D+01  0.521409D+01  0.281245D+00  0.257203D+02 -0.485157D+01
      6   0.224217D+01  0.647349D+01  0.158277D+01  0.983739D+00 -0.250955D+00
               111           112           113           114           115 
      1   0.185506D+02 -0.362122D+02  0.975671D+01 -0.586132D+01  0.403996D+02
      2  -0.106979D+02  0.206067D+02 -0.396324D+01  0.409379D+01 -0.223920D+02
      3  -0.785274D+01  0.156055D+02 -0.579347D+01  0.176753D+01 -0.180076D+02
      4  -0.245042D+01  0.107446D+02 -0.592089D+01  0.588149D+01 -0.991106D+00
      5   0.184999D+02 -0.938937D+01  0.704376D+01 -0.845968D+01  0.315235D+02
      6   0.228219D+01  0.148064D+01 -0.424713D+00  0.648454D+00  0.270562D+01
               116           117           118           119           120 
      1  -0.536351D+01  0.183399D+02  0.276962D+02 -0.212994D+01 -0.105994D+02
      2   0.465796D+01 -0.146939D+02 -0.186449D+02  0.160289D+01  0.846745D+01
      3   0.705551D+00 -0.364595D+01 -0.905127D+01  0.527046D+00  0.213200D+01
      4   0.901336D+01 -0.244212D+01  0.383347D+01  0.368736D+01 -0.240886D+01
      5  -0.585323D+01  0.127490D+02 -0.147788D+02 -0.422812D+00  0.192306D+02
      6   0.133791D+01  0.106887D+00 -0.293082D+01 -0.726159D+00  0.327431D+01
               121           122           123           124           125 
      1  -0.138037D+02  0.103265D+01  0.229153D+01 -0.252330D+02 -0.167297D+01
      2   0.101135D+02 -0.117309D+00 -0.381425D+01  0.226974D+02 -0.113861D+01
      3   0.369027D+01 -0.915337D+00  0.152272D+01  0.253566D+01  0.281158D+01
      4   0.554446D+01  0.167958D+01 -0.532424D+01 -0.921221D+01 -0.101081D+02
      5   0.468389D+01 -0.535393D+01 -0.714137D+01  0.435103D+02 -0.210974D+01
      6  -0.164321D+01  0.797076D-01  0.301993D+01  0.765295D+01  0.448164D+01
               126           127           128           129           130 
      1   0.150985D+02  0.218444D+02 -0.617402D+01 -0.893419D+01 -0.460749D+01
      2  -0.257568D+02 -0.904835D+01 -0.417227D+00  0.454610D+01 -0.189154D+01
      3   0.106583D+02 -0.127961D+02  0.659125D+01  0.438809D+01  0.649903D+01
      4   0.203239D+01 -0.229004D+02  0.180659D+02  0.964197D+01  0.153454D+02
      5  -0.543882D+02 -0.169747D+02  0.685156D+01  0.131474D+02  0.536035D+01
      6  -0.113194D+02  0.878509D+01 -0.461415D+01 -0.714026D+01 -0.452358D+01
               131           132           133           134           135 
      1   0.108169D+01  0.247931D+00 -0.125963D+02  0.566069D+00  0.324593D+01
      2   0.456839D+01  0.202211D+01  0.714794D+01  0.215809D+01 -0.423899D+01
      3  -0.565009D+01 -0.227005D+01  0.544836D+01 -0.272416D+01  0.993064D+00
      4  -0.137889D+02 -0.718679D+01  0.148683D+02 -0.124939D+02 -0.138983D+02
      5  -0.656147D+01 -0.669529D+01  0.185622D+02 -0.115326D+02 -0.153311D+02
      6   0.573639D+01  0.741493D+01 -0.111007D+02  0.108232D+02  0.928049D+01
               136           137           138           139           140 
      1   0.631237D+01 -0.478737D+01  0.291524D+01 -0.144225D+01 -0.525572D+01
      2  -0.238691D+01  0.752589D+00 -0.208887D+01 -0.284320D+01  0.996925D+01
      3  -0.392546D+01  0.403479D+01 -0.826367D+00  0.428545D+01 -0.471353D+01
      4  -0.135233D+02  0.130676D+02 -0.572812D+01  0.141757D+02 -0.164361D+02
      5   0.751729D+01 -0.479377D+01  0.988173D+01 -0.515625D+01  0.970995D+01
      6  -0.589314D+01  0.446508D+01 -0.549212D+01  0.690582D+01 -0.133331D+02
               141           142           143           144           145 
      1   0.289127D+01  0.508141D+01  0.560987D+01 -0.258624D+01  0.566972D+00
      2  -0.433156D+01 -0.270155D+01 -0.694394D+01 -0.306318D+01 -0.351834D+01
      3   0.144029D+01 -0.237986D+01  0.133407D+01  0.564941D+01  0.295137D+01
      4   0.101567D+02 -0.153274D+02  0.200858D+02 -0.174822D+02  0.397217D+00
      5  -0.840116D+01  0.182862D+02 -0.158328D+02  0.209574D+02  0.108135D+01
      6   0.131888D+02 -0.150542D+02  0.209636D+02 -0.217856D+02  0.716687D+00
               146           147           148           149           150 
      1  -0.905110D+00 -0.750992D+00  0.407794D+00 -0.422756D+01 -0.710585D+00
      2   0.161311D+01 -0.516290D+00  0.910171D+00  0.374747D+01  0.352076D+01
      3  -0.707995D+00  0.126728D+01 -0.131796D+01  0.480091D+00 -0.281018D+01
      4   0.264588D+01  0.162042D+01 -0.204693D+00  0.433436D+00  0.146174D-01
      5  -0.389778D+00  0.570239D+01 -0.177313D+00  0.329527D+00  0.106250D+00
      6   0.130168D+01  0.149752D+01  0.486072D+00  0.233527D+01  0.191575D+01
               151           152           153           154           155 
      1  -0.663203D+00 -0.779111D+01 -0.196412D+02 -0.133548D+01 -0.316902D+01
      2  -0.138490D+01  0.558410D+01 -0.870064D+01  0.610429D+01  0.469616D+01
      3   0.204811D+01  0.220702D+01  0.283418D+02 -0.476881D+01 -0.152714D+01
      4   0.379196D+01  0.347840D+00  0.245456D+01  0.162036D+00  0.102671D+02
      5   0.411628D+01 -0.567203D+00 -0.722805D+00  0.254655D+00  0.882400D+00
      6   0.118133D+01  0.931001D+01  0.230054D+02 -0.442684D+00  0.410043D+00
               156           157           158           159           160 
      1  -0.409470D+00 -0.166783D+01 -0.474083D+02 -0.281740D+01  0.456902D-02
      2  -0.133153D+00  0.145809D+01  0.787720D+02  0.301509D+01  0.159095D+00
      3   0.542622D+00  0.209743D+00 -0.313637D+02 -0.197686D+00 -0.163664D+00
      4  -0.126506D+00  0.808180D+01 -0.311173D+01 -0.809887D-01 -0.894541D+00
      5   0.159051D+01  0.299629D+00  0.776042D+00 -0.293928D+00  0.556346D+00
      6   0.862296D+00  0.342733D+00  0.717625D+01  0.841355D+01  0.600797D+00
               161           162           163           164           165 
      1   0.297044D+01 -0.602135D+01  0.208352D+02 -0.205798D+01 -0.629085D+01
      2  -0.551220D+01  0.547007D+01 -0.405316D+01  0.103749D+02  0.878554D+01
      3   0.254176D+01  0.551283D+00 -0.167820D+02 -0.831696D+01 -0.249469D+01
      4   0.849008D+00 -0.114769D+00 -0.529998D+01 -0.985365D+01  0.268668D+00
      5  -0.601135D+00  0.631577D-01 -0.357454D+01 -0.165587D+01 -0.147476D+02
      6   0.920089D+01  0.934614D+00  0.175767D+01 -0.111925D+02 -0.414095D+01
               166           167           168           169           170 
      1  -0.237125D+01 -0.118518D+01 -0.930311D+00 -0.788265D+01  0.643294D+00
      2   0.155103D+02 -0.663774D+01  0.158586D+02  0.109650D+02  0.117235D+02
      3  -0.131390D+02  0.782292D+01 -0.149283D+02 -0.308234D+01 -0.123668D+02
      4  -0.178760D+02  0.238117D+02 -0.133125D+02  0.572926D+00 -0.768107D+01
      5  -0.354962D+01 -0.199003D+02 -0.140670D+02 -0.222412D+02 -0.107240D+02
      6  -0.160245D+02  0.173759D+02 -0.961161D+01 -0.471817D+01 -0.635657D+01
               171           172           173           174           175 
      1  -0.102710D+02 -0.815745D+01 -0.102966D+02 -0.235845D+02 -0.161481D+02
      2   0.932721D+01  0.330667D-01  0.967653D+01  0.109095D+02  0.164410D+02
      3   0.943752D+00  0.812438D+01  0.620078D+00  0.126750D+02 -0.292968D+00
      4  -0.816016D+01 -0.884548D+01 -0.274032D+02 -0.684769D+01 -0.447268D+02
      5  -0.100028D+02 -0.257259D+02 -0.698769D+01 -0.984272D+01 -0.112745D+02
      6  -0.130607D+02 -0.165431D+00  0.232883D+01 -0.230669D+00  0.344564D+01
               176           177           178           179           180 
      1  -0.257140D+02 -0.105177D+02 -0.298272D+02 -0.108212D+02 -0.820023D+01
      2   0.414120D+01  0.255778D+01  0.107322D+02  0.206993D+01  0.135535D+02
      3   0.215728D+02  0.795994D+01  0.190950D+02  0.875128D+01 -0.535327D+01
      4   0.358365D+02 -0.270070D+01 -0.115215D+02 -0.425025D+01 -0.187324D+02
      5  -0.119670D+01 -0.183301D+02 -0.163657D+02 -0.181454D+02  0.293838D+02
      6  -0.434635D+01 -0.110612D+01 -0.150432D+01  0.165792D+01  0.136971D+01
               181           182           183           184           185 
      1  -0.133133D+02 -0.247164D+01  0.118342D+02 -0.418316D+00 -0.315826D+01
      2   0.426759D+01  0.147579D+00  0.147395D+01 -0.141267D+01  0.294888D+01
      3   0.904576D+01  0.232406D+01 -0.133082D+02  0.183099D+01  0.209373D+00
      4   0.798934D+01  0.103533D+01 -0.722851D+00  0.397571D+01 -0.150368D+01
      5  -0.122455D+02  0.199636D+00  0.227325D+01 -0.181891D+00  0.875956D+00
      6  -0.145955D+01 -0.446500D+01  0.564073D+01 -0.767760D+00 -0.276174D+01
               186           187           188           189           190 
      1   0.179714D+01  0.751667D+01  0.151554D+01 -0.628186D+01  0.757472D+01
      2  -0.238077D+01  0.191458D+00 -0.127303D+01 -0.332668D+01 -0.119780D+02
      3   0.583626D+00 -0.770813D+01 -0.242510D+00  0.960853D+01  0.440330D+01
      4   0.955767D+00 -0.954271D+00 -0.595535D+00  0.261129D+01  0.403225D+01
      5   0.226563D+01  0.708939D+01  0.156133D+01 -0.280275D+01  0.192762D+02
      6   0.358708D+01  0.314650D+01  0.323568D+01 -0.148830D+01  0.326524D+01
               191           192           193           194           195 
      1   0.302028D+01  0.263094D+01  0.524821D+01 -0.482844D+00 -0.325823D+01
      2  -0.531214D+01 -0.125798D+02 -0.964076D+01 -0.242832D+01 -0.117802D+02
      3   0.229186D+01  0.994889D+01  0.439254D+01  0.291116D+01  0.150384D+02
      4   0.674448D+01  0.256900D+01  0.813240D+01  0.535523D+01  0.775879D+01
      5   0.545137D+01  0.217049D+02  0.137349D+02  0.105861D+02  0.183373D+02
      6   0.618765D+01  0.310877D+01  0.752005D+01  0.736363D+01  0.100705D+02
               196           197           198           199           200 
      1   0.311284D+01 -0.144732D+01 -0.703612D+01  0.428421D+01 -0.292641D+01
      2  -0.125915D+02 -0.624962D+01 -0.203824D+02 -0.371072D+00 -0.343281D+01
      3   0.947863D+01  0.769694D+01  0.274185D+02 -0.391314D+01  0.635921D+01
      4   0.250718D+01  0.571527D+01  0.555095D+01 -0.116976D+02  0.151802D+02
      5   0.204429D+02  0.789510D+01  0.278243D+02  0.844049D+01 -0.723701D+01
      6   0.386607D+01  0.811359D+01  0.756114D+01 -0.639004D+01  0.936963D+01
               201           202           203           204           205 
      1  -0.940142D-02 -0.286570D+01 -0.113771D+02  0.731387D+01 -0.646147D+00
      2  -0.190128D+01 -0.533778D+01  0.236711D+02 -0.482955D+01 -0.180374D+01
      3   0.191068D+01  0.820347D+01 -0.122940D+02 -0.248432D+01  0.244989D+01
      4  -0.503805D+01  0.192442D+02 -0.320894D+02  0.114320D+02 -0.144810D+01
      5   0.924706D+01 -0.978753D+01  0.150218D+02 -0.981878D+01  0.607575D+01
      6  -0.439920D+01  0.120065D+02 -0.283932D+02  0.166925D+02 -0.316900D+01
               206           207           208           209           210 
      1   0.365659D+01 -0.252101D+01  0.483016D+01  0.340837D+01 -0.543358D+01
      2  -0.857559D+00 -0.149410D+00 -0.478387D+01 -0.228485D+01  0.432358D+01
      3  -0.279903D+01  0.267042D+01 -0.462928D-01 -0.112352D+01  0.111000D+01
      4   0.370018D+01 -0.421942D+01  0.322773D+01  0.411174D+01 -0.983839D+00
      5  -0.427571D+01  0.548515D+01 -0.633728D+01 -0.154576D+01  0.106650D+02
      6   0.987203D+01 -0.536988D+01 -0.795640D+00 -0.422546D+00  0.126070D+00
               211           212           213           214           215 
      1   0.788368D+01  0.209484D+01  0.704000D+00 -0.145625D+02  0.136267D+01
      2  -0.562796D+01 -0.975571D+00  0.286678D+01  0.127939D+02  0.212345D+01
      3  -0.225572D+01 -0.111927D+01 -0.357078D+01  0.176856D+01 -0.348612D+01
      4   0.836405D+01  0.247255D+01 -0.659859D+01 -0.157825D+01 -0.961003D+01
      5  -0.478868D+01 -0.634785D+01  0.131056D+02  0.235077D+02  0.959086D+01
      6  -0.180984D+01 -0.222569D+01  0.474142D+01  0.574929D+00  0.512122D+01
               216           217           218           219           220 
      1   0.131722D+01  0.228423D+02 -0.123597D+02  0.116177D+01 -0.265532D+02
      2  -0.183983D+02 -0.701931D+01  0.266869D+01 -0.458458D+00  0.422751D+01
      3   0.170811D+02 -0.158230D+02  0.969097D+01 -0.703314D+00  0.223257D+02
      4   0.982964D+01 -0.180577D+02  0.219125D+02  0.146527D+01  0.404824D+02
      5  -0.465139D+02 -0.621331D+00  0.234301D+01  0.533339D+01  0.634512D+01
      6  -0.154289D+01  0.177276D+01 -0.207557D+01 -0.919771D+00 -0.423656D+01
               221           222           223           224           225 
      1   0.129633D+02  0.227486D+01  0.521242D+01  0.679652D+00  0.288779D+01
      2   0.106982D+02 -0.174850D+01 -0.154667D+01 -0.815475D+00 -0.142130D+01
      3  -0.236615D+02 -0.526352D+00 -0.366576D+01  0.135823D+00 -0.146650D+01
      4  -0.537788D+02 -0.163711D+01  0.268778D+00  0.117870D+01 -0.410565D+01
      5  -0.277779D+01 -0.917380D+01  0.862767D+01 -0.459095D+01 -0.261046D+01
      6   0.665082D+01  0.614094D+01 -0.271595D+01  0.498103D+01  0.768737D-01
               226           227           228           229           230 
      1   0.565326D+02  0.149402D+02  0.153517D+02  0.324173D+02  0.144927D+02
      2  -0.275241D+02 -0.720780D+01 -0.748406D+01 -0.153830D+02 -0.322926D+01
      3  -0.290085D+02 -0.773235D+01 -0.786768D+01 -0.170343D+02 -0.112635D+02
      4   0.173464D+02  0.163320D+02  0.632791D+01  0.256256D+02  0.134923D+02
      5   0.158881D+02  0.575668D+01  0.141715D+02  0.922500D+01  0.665900D+01
      6   0.770478D+00 -0.357472D+00 -0.125227D+00  0.714022D+00  0.174483D+01
               231           232           233           234 
      1   0.727380D+01  0.349426D+02  0.732330D+01  0.120177D+02
      2  -0.279720D+01 -0.175651D+02 -0.308528D+01 -0.927585D+01
      3  -0.447660D+01 -0.173775D+02 -0.423803D+01 -0.274189D+01
      4   0.769589D+01  0.112170D+02  0.112154D+02  0.860087D+01
      5   0.121179D+02  0.200172D+02  0.832747D+01  0.141991D+02
      6   0.233873D+01  0.163211D+01  0.162793D+01  0.169466D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:21:42 2021, MaxMem=  5637144576 cpu:           56014.9 elap:            7041.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.02740 -10.01958 -10.01272 -10.01257 -10.01118
 Alpha  occ. eigenvalues --  -10.01035 -10.00723 -10.00245 -10.00231  -9.99890
 Alpha  occ. eigenvalues --   -0.95227  -0.88193  -0.82334  -0.80233  -0.76707
 Alpha  occ. eigenvalues --   -0.75620  -0.70729  -0.65750  -0.60859  -0.57943
 Alpha  occ. eigenvalues --   -0.55820  -0.54196  -0.52935  -0.51091  -0.50398
 Alpha  occ. eigenvalues --   -0.48284  -0.47624  -0.46990  -0.45854  -0.45526
 Alpha  occ. eigenvalues --   -0.43847  -0.43330  -0.41660  -0.40214  -0.38949
 Alpha  occ. eigenvalues --   -0.35964  -0.33908  -0.29982
 Alpha virt. eigenvalues --    0.02917   0.03654   0.03857   0.04112   0.05148
 Alpha virt. eigenvalues --    0.05442   0.05624   0.05882   0.06187   0.07562
 Alpha virt. eigenvalues --    0.07664   0.08049   0.08201   0.08651   0.09153
 Alpha virt. eigenvalues --    0.09570   0.10491   0.11783   0.12494   0.12663
 Alpha virt. eigenvalues --    0.12790   0.13423   0.13716   0.14013   0.14234
 Alpha virt. eigenvalues --    0.14557   0.14853   0.15134   0.15244   0.16132
 Alpha virt. eigenvalues --    0.16627   0.16971   0.17079   0.17450   0.17786
 Alpha virt. eigenvalues --    0.18274   0.18925   0.19683   0.20000   0.20050
 Alpha virt. eigenvalues --    0.20277   0.20548   0.21067   0.21580   0.21794
 Alpha virt. eigenvalues --    0.22402   0.22922   0.23021   0.24062   0.24760
 Alpha virt. eigenvalues --    0.24904   0.25354   0.25712   0.26368   0.26938
 Alpha virt. eigenvalues --    0.27220   0.27819   0.28288   0.28481   0.29007
 Alpha virt. eigenvalues --    0.29545   0.29921   0.30694   0.31208   0.31653
 Alpha virt. eigenvalues --    0.32365   0.32926   0.33960   0.34211   0.35362
 Alpha virt. eigenvalues --    0.35824   0.36305   0.37105   0.37852   0.38349
 Alpha virt. eigenvalues --    0.39142   0.39363   0.40344   0.40459   0.40978
 Alpha virt. eigenvalues --    0.41670   0.42005   0.42431   0.42788   0.42832
 Alpha virt. eigenvalues --    0.43636   0.44168   0.44718   0.44891   0.45631
 Alpha virt. eigenvalues --    0.45989   0.46287   0.46670   0.47665   0.48011
 Alpha virt. eigenvalues --    0.48564   0.49023   0.49778   0.50304   0.51170
 Alpha virt. eigenvalues --    0.51364   0.51709   0.52382   0.52552   0.53300
 Alpha virt. eigenvalues --    0.54130   0.54658   0.55240   0.56029   0.56522
 Alpha virt. eigenvalues --    0.57428   0.57563   0.57754   0.58117   0.59067
 Alpha virt. eigenvalues --    0.59739   0.59871   0.60385   0.61444   0.61614
 Alpha virt. eigenvalues --    0.62331   0.63577   0.63933   0.64345   0.64831
 Alpha virt. eigenvalues --    0.65476   0.65984   0.67293   0.67854   0.67989
 Alpha virt. eigenvalues --    0.68638   0.69087   0.69346   0.69869   0.69994
 Alpha virt. eigenvalues --    0.70382   0.71062   0.71626   0.73126   0.73454
 Alpha virt. eigenvalues --    0.73792   0.74081   0.74556   0.74887   0.75451
 Alpha virt. eigenvalues --    0.76329   0.77123   0.77346   0.77397   0.78189
 Alpha virt. eigenvalues --    0.78658   0.79603   0.80014   0.80891   0.81157
 Alpha virt. eigenvalues --    0.82079   0.83009   0.83273   0.83737   0.84490
 Alpha virt. eigenvalues --    0.85695   0.85877   0.86414   0.87048   0.87829
 Alpha virt. eigenvalues --    0.88817   0.89003   0.90197   0.91948   0.92478
 Alpha virt. eigenvalues --    0.92885   0.95082   0.95455   0.96157   0.97489
 Alpha virt. eigenvalues --    0.98348   0.99314   1.00598   1.02152   1.02550
 Alpha virt. eigenvalues --    1.03353   1.04534   1.05857   1.06187   1.06912
 Alpha virt. eigenvalues --    1.07161   1.08325   1.10369   1.11219   1.11750
 Alpha virt. eigenvalues --    1.13743   1.14198   1.16619   1.18038   1.19550
 Alpha virt. eigenvalues --    1.21003   1.23330   1.23865   1.25765   1.27662
 Alpha virt. eigenvalues --    1.28039   1.29899   1.31282   1.32408   1.33944
 Alpha virt. eigenvalues --    1.36394   1.38664   1.39800   1.41147   1.42420
 Alpha virt. eigenvalues --    1.46761   1.49041   1.49408   1.50058   1.51016
 Alpha virt. eigenvalues --    1.52962   1.53081   1.54977   1.55490   1.55839
 Alpha virt. eigenvalues --    1.56485   1.58007   1.58709   1.61433   1.62333
 Alpha virt. eigenvalues --    1.63266   1.64187   1.64670   1.66124   1.67179
 Alpha virt. eigenvalues --    1.67516   1.68411   1.69976   1.70153   1.71474
 Alpha virt. eigenvalues --    1.72719   1.74301   1.74365   1.75518   1.76021
 Alpha virt. eigenvalues --    1.78577   1.79778   1.80612   1.81634   1.84011
 Alpha virt. eigenvalues --    1.84860   1.86487   1.87135   1.87561   1.88552
 Alpha virt. eigenvalues --    1.90281   1.91444   1.93766   1.94208   1.95080
 Alpha virt. eigenvalues --    1.95467   1.97752   1.98565   1.99546   2.00389
 Alpha virt. eigenvalues --    2.02978   2.03440   2.05110   2.05379   2.07019
 Alpha virt. eigenvalues --    2.07611   2.08233   2.09823   2.10566   2.12012
 Alpha virt. eigenvalues --    2.12453   2.14177   2.15451   2.16891   2.17700
 Alpha virt. eigenvalues --    2.19307   2.21089   2.21798   2.23195   2.24075
 Alpha virt. eigenvalues --    2.25293   2.26158   2.27734   2.29685   2.31381
 Alpha virt. eigenvalues --    2.33378   2.33668   2.35229   2.36237   2.36965
 Alpha virt. eigenvalues --    2.37772   2.39507   2.40580   2.41425   2.42985
 Alpha virt. eigenvalues --    2.44031   2.46870   2.49149   2.49445   2.50765
 Alpha virt. eigenvalues --    2.50996   2.53262   2.57321   2.58054   2.60037
 Alpha virt. eigenvalues --    2.61881   2.63887   2.64378   2.65961   2.66798
 Alpha virt. eigenvalues --    2.68798   2.69781   2.72396   2.72983   2.74675
 Alpha virt. eigenvalues --    2.76084   2.78037   2.81179   2.82659   2.83786
 Alpha virt. eigenvalues --    2.86476   2.88319   2.90302   2.92764   2.94922
 Alpha virt. eigenvalues --    2.99805   3.04584   3.05508   3.12901   3.14055
 Alpha virt. eigenvalues --    3.19714   3.27185   3.65161   3.70077   4.09471
 Alpha virt. eigenvalues --    4.43122
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   15.141600  -0.757515  -1.673886  -1.642407  -0.916943  -1.033194
     2  C   -0.757515  12.216637  -0.636898  -0.035821   0.055513  -0.131537
     3  C   -1.673886  -0.636898  17.982770  -5.186307  -0.468739  -1.929596
     4  C   -1.642407  -0.035821  -5.186307  12.589119  -0.723433  -0.503620
     5  C   -0.916943   0.055513  -0.468739  -0.723433   7.401739  -0.496330
     6  C   -1.033194  -0.131537  -1.929596  -0.503620  -0.496330   9.554206
     7  C    0.050253  -1.235975  -0.334747  -0.219157   0.053705   0.218791
     8  C   -1.049283  -1.635612  -0.446722   0.083452   0.133260  -0.016864
     9  H   -2.460911   0.638042   0.690152   0.258117   0.099697   0.079172
    10  H    0.626893  -2.078329   0.187198   0.122010   0.007923  -0.113320
    11  H    0.126777  -0.118007  -2.510802   0.832375  -0.060119   0.271316
    12  H    0.031980   0.001681  -0.268738   0.756408  -0.534086   0.064187
    13  H   -0.047377  -0.001301  -0.023865  -0.222230   0.522056   0.077348
    14  H   -0.015784   0.026198   0.106344  -0.013227   0.527149  -0.259296
    15  H    0.038482   0.146245   0.181970   0.357824  -0.165925  -0.828337
    16  H   -0.101952  -0.177757  -0.010655  -0.089281   0.151729   0.159890
    17  H   -0.098402  -0.355532  -0.058655   0.115754   0.052540  -0.166312
    18  H   -0.015071   0.608397   0.025889  -0.023315  -0.019328   0.147312
    19  C   -0.421380  -0.824447  -0.426738  -0.028459  -0.126868  -0.045196
    20  C   -0.238744  -0.356475  -0.308611   0.090211  -0.007870   0.117673
    21  H   -0.165279  -0.161956  -0.000465   0.055104  -0.061470  -0.075670
    22  H    0.251865  -0.321062  -0.052905  -0.010610  -0.004857   0.005879
    23  H   -0.360362   0.273427   0.112612   0.107458   0.016780   0.035930
    24  H   -0.206360  -0.165708  -0.051506  -0.006609  -0.002034  -0.001225
    25  H   -0.084050   0.050713   0.074190   0.020780   0.003316   0.003014
    26  H    0.068604  -0.095076  -0.019156  -0.005169  -0.000488   0.010073
               7          8          9         10         11         12
     1  C    0.050253  -1.049283  -2.460911   0.626893   0.126777   0.031980
     2  C   -1.235975  -1.635612   0.638042  -2.078329  -0.118007   0.001681
     3  C   -0.334747  -0.446722   0.690152   0.187198  -2.510802  -0.268738
     4  C   -0.219157   0.083452   0.258117   0.122010   0.832375   0.756408
     5  C    0.053705   0.133260   0.099697   0.007923  -0.060119  -0.534086
     6  C    0.218791  -0.016864   0.079172  -0.113320   0.271316   0.064187
     7  C    7.519502  -0.144137  -0.184754   0.171059   0.073870  -0.036574
     8  C   -0.144137  10.375218  -0.114940  -0.106470  -0.012705  -0.019588
     9  H   -0.184754  -0.114940   3.290437  -0.212000  -0.162256   0.011776
    10  H    0.171059  -0.106470  -0.212000   3.571246   0.019697  -0.000800
    11  H    0.073870  -0.012705  -0.162256   0.019697   3.395182  -0.114663
    12  H   -0.036574  -0.019588   0.011776  -0.000800  -0.114663   1.770799
    13  H    0.009134   0.017775   0.003526   0.001795   0.004896  -0.163548
    14  H    0.020051  -0.024146   0.003589   0.000191   0.006787  -0.215802
    15  H    0.018630  -0.061439   0.007786   0.024906  -0.017277   0.031151
    16  H    0.054118   0.042680   0.008563   0.011248   0.015796  -0.005641
    17  H    0.152471  -0.000226  -0.004109   0.089333   0.018480  -0.016937
    18  H   -0.586346  -0.022019   0.010527  -0.279271  -0.003865   0.001085
    19  C   -0.021877  -0.163679  -0.061603  -0.090338   0.088817   0.012515
    20  C   -0.083540  -0.936147  -0.074069  -0.058392   0.052436   0.000897
    21  H   -0.157328   0.045127   0.001005   0.017014  -0.021048   0.021319
    22  H    0.051450   0.089153  -0.005021   0.008959   0.006592  -0.000477
    23  H   -0.037345   0.318797   0.019443  -0.013406   0.013723   0.001790
    24  H    0.068467   0.839613  -0.055916  -0.067144   0.012670  -0.000379
    25  H   -0.013690  -0.101618  -0.006053   0.022595   0.004235   0.000271
    26  H   -0.003616  -0.070791   0.019771  -0.010802  -0.002485   0.000086
              13         14         15         16         17         18
     1  C   -0.047377  -0.015784   0.038482  -0.101952  -0.098402  -0.015071
     2  C   -0.001301   0.026198   0.146245  -0.177757  -0.355532   0.608397
     3  C   -0.023865   0.106344   0.181970  -0.010655  -0.058655   0.025889
     4  C   -0.222230  -0.013227   0.357824  -0.089281   0.115754  -0.023315
     5  C    0.522056   0.527149  -0.165925   0.151729   0.052540  -0.019328
     6  C    0.077348  -0.259296  -0.828337   0.159890  -0.166312   0.147312
     7  C    0.009134   0.020051   0.018630   0.054118   0.152471  -0.586346
     8  C    0.017775  -0.024146  -0.061439   0.042680  -0.000226  -0.022019
     9  H    0.003526   0.003589   0.007786   0.008563  -0.004109   0.010527
    10  H    0.001795   0.000191   0.024906   0.011248   0.089333  -0.279271
    11  H    0.004896   0.006787  -0.017277   0.015796   0.018480  -0.003865
    12  H   -0.163548  -0.215802   0.031151  -0.005641  -0.016937   0.001085
    13  H    1.111763  -0.208413  -0.007363  -0.012560   0.010158  -0.001586
    14  H   -0.208413   1.090956  -0.021678   0.014477   0.012642  -0.001862
    15  H   -0.007363  -0.021678   2.142452  -0.351123  -0.185947   0.032066
    16  H   -0.012560   0.014477  -0.351123   1.567142   0.156993  -0.203338
    17  H    0.010158   0.012642  -0.185947   0.156993   2.303277  -0.534196
    18  H   -0.001586  -0.001862   0.032066  -0.203338  -0.534196   2.050749
    19  C   -0.014706   0.015824   0.015469  -0.027673  -0.115716   0.050950
    20  C    0.001923  -0.005043  -0.005204   0.017019   0.024637   0.020037
    21  H   -0.008474  -0.011550   0.016148  -0.006804   0.060869  -0.002551
    22  H   -0.000574   0.001605   0.003735  -0.003872  -0.028511   0.015186
    23  H   -0.000620   0.004902  -0.003243   0.003885   0.004228   0.001809
    24  H   -0.000085   0.000147  -0.002717   0.000996   0.000823   0.006118
    25  H    0.000184  -0.000187   0.000419   0.000577  -0.001742   0.000120
    26  H    0.000054  -0.000322  -0.000057   0.001562   0.011133  -0.002881
              19         20         21         22         23         24
     1  C   -0.421380  -0.238744  -0.165279   0.251865  -0.360362  -0.206360
     2  C   -0.824447  -0.356475  -0.161956  -0.321062   0.273427  -0.165708
     3  C   -0.426738  -0.308611  -0.000465  -0.052905   0.112612  -0.051506
     4  C   -0.028459   0.090211   0.055104  -0.010610   0.107458  -0.006609
     5  C   -0.126868  -0.007870  -0.061470  -0.004857   0.016780  -0.002034
     6  C   -0.045196   0.117673  -0.075670   0.005879   0.035930  -0.001225
     7  C   -0.021877  -0.083540  -0.157328   0.051450  -0.037345   0.068467
     8  C   -0.163679  -0.936147   0.045127   0.089153   0.318797   0.839613
     9  H   -0.061603  -0.074069   0.001005  -0.005021   0.019443  -0.055916
    10  H   -0.090338  -0.058392   0.017014   0.008959  -0.013406  -0.067144
    11  H    0.088817   0.052436  -0.021048   0.006592   0.013723   0.012670
    12  H    0.012515   0.000897   0.021319  -0.000477   0.001790  -0.000379
    13  H   -0.014706   0.001923  -0.008474  -0.000574  -0.000620  -0.000085
    14  H    0.015824  -0.005043  -0.011550   0.001605   0.004902   0.000147
    15  H    0.015469  -0.005204   0.016148   0.003735  -0.003243  -0.002717
    16  H   -0.027673   0.017019  -0.006804  -0.003872   0.003885   0.000996
    17  H   -0.115716   0.024637   0.060869  -0.028511   0.004228   0.000823
    18  H    0.050950   0.020037  -0.002551   0.015186   0.001809   0.006118
    19  C    6.849735  -0.235073   0.364932   0.118002  -0.065591  -0.070928
    20  C   -0.235073   6.578361   0.094594   0.123738  -0.189055  -0.305945
    21  H    0.364932   0.094594   2.187613  -0.379476  -0.523776  -0.034646
    22  H    0.118002   0.123738  -0.379476   1.566234  -0.350738   0.014521
    23  H   -0.065591  -0.189055  -0.523776  -0.350738   1.907200   0.011674
    24  H   -0.070928  -0.305945  -0.034646   0.014521   0.011674   2.115001
    25  H   -0.012947   0.341992   0.022260   0.011857  -0.026442  -0.380687
    26  H    0.090718   0.333746   0.014525  -0.025015   0.011663  -0.365632
              25         26
     1  C   -0.084050   0.068604
     2  C    0.050713  -0.095076
     3  C    0.074190  -0.019156
     4  C    0.020780  -0.005169
     5  C    0.003316  -0.000488
     6  C    0.003014   0.010073
     7  C   -0.013690  -0.003616
     8  C   -0.101618  -0.070791
     9  H   -0.006053   0.019771
    10  H    0.022595  -0.010802
    11  H    0.004235  -0.002485
    12  H    0.000271   0.000086
    13  H    0.000184   0.000054
    14  H   -0.000187  -0.000322
    15  H    0.000419  -0.000057
    16  H    0.000577   0.001562
    17  H   -0.001742   0.011133
    18  H    0.000120  -0.002881
    19  C   -0.012947   0.090718
    20  C    0.341992   0.333746
    21  H    0.022260   0.014525
    22  H    0.011857  -0.025015
    23  H   -0.026442   0.011663
    24  H   -0.380687  -0.365632
    25  H    1.480961  -0.292501
    26  H   -0.292501   1.448881
 Mulliken charges:
               1
     1  C    0.952446
     2  C    1.072158
     3  C    1.047865
     4  C   -0.678969
     5  C    0.563084
     6  C    0.855704
     7  C    0.597584
     8  C   -1.018691
     9  H   -0.799974
    10  H   -0.851795
    11  H   -0.920426
    12  H   -0.328713
    13  H   -0.047912
    14  H   -0.053553
    15  H   -0.366971
    16  H   -0.216018
    17  H   -0.447052
    18  H   -0.274614
    19  C    1.146257
    20  C    1.006904
    21  H   -0.290016
    22  H   -0.085658
    23  H   -0.274742
    24  H   -0.352507
    25  H   -0.117564
    26  H   -0.116826
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.152471
     2  C    0.220363
     3  C    0.127440
     4  C   -0.678969
     5  C    0.132906
     6  C    0.272715
     7  C   -0.124082
     8  C   -1.018691
    19  C    0.495840
    20  C    0.420008
 Electronic spatial extent (au):  <R**2>=           1605.2089
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1797    Y=              0.3141    Z=              0.0985  Tot=              0.3750
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -62.5620   YY=            -62.9126   ZZ=            -64.4092
   XY=             -0.3210   XZ=             -1.0760   YZ=             -0.0125
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7326   YY=              0.3820   ZZ=             -1.1146
   XY=             -0.3210   XZ=             -1.0760   YZ=             -0.0125
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.8496  YYY=             -0.5558  ZZZ=             -0.1162  XYY=             -0.6638
  XXY=              0.5105  XXZ=              0.8941  XZZ=              1.7556  YZZ=              2.0930
  YYZ=             -1.8590  XYZ=             -0.1573
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1510.6024 YYYY=           -450.9530 ZZZZ=           -315.4942 XXXY=             -0.1855
 XXXZ=              3.9154 YYYX=              1.7317 YYYZ=             -1.3602 ZZZX=             -9.1973
 ZZZY=              1.4547 XXYY=           -326.5405 XXZZ=           -299.7614 YYZZ=           -131.7771
 XXYZ=             -0.8240 YYXZ=              1.2124 ZZXY=             -0.7545
 N-N= 5.488339666672D+02 E-N=-2.000835164461D+03  KE= 3.874362314358D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:21:44 2021, MaxMem=  5637144576 cpu:               8.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.60238550D-02 1.20008282D-01 3.16407782D-02
 Polarizability= 1.39876976D+02-4.60708650D+00 1.07771866D+02
                -2.74844967D+00 1.31010471D+00 9.63720762D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.4346    1.4352       -2.5104   -2.5101
 2     -1.4346   -1.4352       -0.6477   -0.6471      -17.3611  -17.3594
 3      2.5104    2.5101       23.1084   23.1062        0.6473    0.6471
 4      0.6477    0.6471        0.0000    0.0000        2.5113    2.5101
 5     -5.7473   -5.7468       -2.5113   -2.5101        1.4343    1.4352
 6     -0.6473   -0.6471       -1.4343   -1.4352       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.3055   -4.3055       -7.5303   -7.5303
 2      1.9414    1.9414       -0.0000    0.0000       -7.5303   -7.5303
 3      1.9414    1.9414       -4.3055   -4.3055        0.0000    0.0000
 4     -4.3055   -4.3055       -1.9414   -1.9414      -52.0783  -52.0783
 5      7.5303    7.5303       69.3185   69.3185        1.9414    1.9414
 6    -17.2403  -17.2403       -7.5303   -7.5303        4.3055    4.3055
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0090    0.0000       -5.7272   -5.7407       10.0385   10.0404
 2      5.7860    5.7407        2.5544    2.5886       69.4113   69.4377
 3    -10.0782  -10.0404      -92.4186  -92.4247       -2.6198   -2.5886
 4     -2.5897   -2.5886        0.0131    0.0000      -10.0398  -10.0404
 5     22.9814   22.9870       10.0528   10.0404       -5.7118   -5.7407
 6      2.6217    2.5886        5.7475    5.7407       -0.0365    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0675    0.0000      -16.9874  -17.0072      -27.6154  -27.6049
 2     17.0186   17.0072       19.6165   19.5240        0.6155    0.6839
 3     27.7002   27.6049       26.6632   26.5965      -19.5422  -19.5240
 4    -19.4887  -19.5240       -0.0423    0.0000       27.5852   27.6049
 5    -27.3364  -27.2804      -27.5945  -27.6049      -16.9175  -17.0072
 6     19.5487   19.5240       17.0369   17.0072       -0.0081    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -31.3314  -31.3734       27.5264   27.5141       19.7173   19.7140
 2    -54.7499  -54.7826       14.8627   14.8204       19.7780   19.7140
 3    -54.7366  -54.7826       27.5237   27.5141       27.3176   27.2280
 4     12.6697   12.6936       23.4047   23.4092       19.9220   20.0068
 5      7.6196    7.5141       36.2325   36.2118      -23.4056  -23.4092
 6    -56.1987  -56.2186       -7.5053   -7.5141      -12.4143  -12.6936
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0004    0.0005    4.8777    5.4116   13.4147
 Low frequencies ---   93.3402  116.1376  190.9249
 Diagonal vibrational polarizability:
        2.1315926       1.4869538       3.6037951
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3381               116.1348               190.9233
 Red. masses --      2.7957                 2.2039                 1.2096
 Frc consts  --      0.0143                 0.0175                 0.0260
 IR Inten    --      0.2720                 0.1556                 0.2871
 RamAct Fr= 1--      1.4242                 1.0964                 0.5516
  Dep-P Fr= 1--      0.6661                 0.6026                 0.6770
  Dep-U Fr= 1--      0.7996                 0.7520                 0.8074
 Alpha2 Fr= 1--      0.0021                 0.0030                 0.0007
 Beta2  Fr= 1--      0.1898                 0.1374                 0.0742
 AlphaG Fr= 1--     -0.0064                -0.0079                -0.0166
 Gamma2 Fr= 1--      0.1195                 0.1268                -0.2041
 Delta2 Fr= 1--     -0.0466                 0.2247                 0.1133
 Raman1 Fr= 1--       5.697                  4.386                  2.206
 ROA1   Fr= 1--       9.975                 19.359                -15.964
 CID1   Fr= 1--       1.751                  4.414                 -7.235
 Raman2 Fr= 1--       2.278                  1.649                  0.891
 ROA2   Fr= 1--       3.240                  1.245                 -5.804
 CID2   Fr= 1--       1.423                  0.755                 -6.516
 Raman3 Fr= 1--       4.555                  3.298                  1.781
 ROA3   Fr= 1--       9.975                 19.359                -15.964
 CID3   Fr= 1--       2.190                  5.870                 -8.962
 RC180  Fr= 1--       0.599                  0.504                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.10    -0.00  -0.04   0.01    -0.00  -0.02  -0.02
     2   6    -0.03  -0.03   0.06     0.01  -0.02  -0.06    -0.01  -0.02  -0.00
     3   6    -0.02  -0.04   0.13    -0.02  -0.01  -0.01    -0.02  -0.01  -0.05
     4   6    -0.05   0.01  -0.02    -0.00  -0.02   0.04    -0.01   0.01  -0.04
     5   6    -0.11   0.07  -0.15    -0.06  -0.01  -0.16     0.00   0.03   0.04
     6   6    -0.01   0.01  -0.08     0.01  -0.04   0.21     0.02   0.00  -0.02
     7   6    -0.03  -0.07   0.08     0.06   0.02  -0.03     0.01  -0.06   0.05
     8   6     0.05   0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     9   1    -0.07  -0.06   0.08     0.01  -0.09   0.03     0.01  -0.00  -0.02
    10   1    -0.10  -0.02   0.01    -0.01  -0.05  -0.10    -0.02   0.00   0.01
    11   1    -0.03  -0.04   0.19    -0.07   0.01  -0.15    -0.03  -0.00  -0.05
    12   1    -0.11   0.06  -0.05    -0.09   0.02  -0.33    -0.09   0.06  -0.13
    13   1    -0.00   0.03  -0.32     0.02   0.12  -0.16    -0.06   0.17   0.23
    14   1    -0.27   0.19  -0.21    -0.15  -0.16  -0.15     0.16  -0.12   0.11
    15   1    -0.08   0.08  -0.18     0.14  -0.16   0.40    -0.01   0.02  -0.06
    16   1     0.14  -0.00  -0.13    -0.24   0.06   0.33     0.08   0.02  -0.04
    17   1    -0.12  -0.21   0.07     0.20   0.15  -0.02    -0.02  -0.17   0.03
    18   1     0.02  -0.06   0.21     0.00   0.01  -0.15     0.04  -0.05   0.15
    19   6     0.20   0.01   0.04     0.01   0.13   0.03    -0.00   0.06   0.02
    20   6     0.01   0.06  -0.12    -0.00  -0.05  -0.02     0.00   0.00   0.00
    21   1     0.23  -0.04   0.13     0.01   0.10   0.02    -0.04  -0.36  -0.14
    22   1     0.23   0.05  -0.02    -0.04   0.23  -0.02    -0.40   0.37   0.03
    23   1     0.27   0.04   0.01     0.07   0.17   0.14     0.43   0.25   0.19
    24   1    -0.11   0.04  -0.14    -0.01  -0.13  -0.04     0.02   0.05   0.02
    25   1     0.06   0.07  -0.14    -0.02  -0.05   0.06    -0.00  -0.00  -0.04
    26   1     0.04   0.10  -0.20     0.02  -0.01  -0.07    -0.00  -0.03   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    194.0390               207.9145               236.5019
 Red. masses --      1.7124                 1.1234                 1.2825
 Frc consts  --      0.0380                 0.0286                 0.0423
 IR Inten    --      0.2112                 0.2213                 0.2190
 RamAct Fr= 1--      0.2165                 0.1415                 0.2019
  Dep-P Fr= 1--      0.6741                 0.6602                 0.6369
  Dep-U Fr= 1--      0.8053                 0.7954                 0.7782
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0004
 Beta2  Fr= 1--      0.0291                 0.0188                 0.0262
 AlphaG Fr= 1--      0.0024                 0.0010                -0.0013
 Gamma2 Fr= 1--      0.3803                -0.0989                 0.0957
 Delta2 Fr= 1--     -0.0826                 0.0013                -0.0195
 Raman1 Fr= 1--       0.866                  0.566                  0.807
 ROA1   Fr= 1--      33.865                 -9.453                  8.565
 CID1   Fr= 1--      39.106                -16.699                 10.607
 Raman2 Fr= 1--       0.349                  0.225                  0.314
 ROA2   Fr= 1--       9.788                 -2.385                  2.453
 CID2   Fr= 1--      28.070                -10.593                  7.808
 Raman3 Fr= 1--       0.697                  0.450                  0.628
 ROA3   Fr= 1--      33.865                 -9.453                  8.565
 CID3   Fr= 1--      48.560                -20.996                 13.631
 RC180  Fr= 1--       0.611                  0.591                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.01    -0.01  -0.01  -0.03     0.01  -0.03   0.01
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.02    -0.01  -0.02  -0.03
     3   6    -0.03  -0.03   0.00    -0.00  -0.00   0.01     0.00  -0.03   0.06
     4   6    -0.00   0.00   0.01     0.01   0.00   0.03     0.00  -0.01   0.03
     5   6    -0.03   0.07   0.02    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     6   6     0.02  -0.00   0.02     0.02   0.00   0.04    -0.00  -0.01   0.01
     7   6     0.03  -0.02  -0.03     0.03  -0.01   0.01     0.00   0.03  -0.06
     8   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.02     0.01   0.00  -0.00
     9   1    -0.02  -0.08  -0.02    -0.02  -0.01  -0.03    -0.02  -0.06   0.01
    10   1     0.00  -0.08  -0.04     0.00  -0.01  -0.02     0.00  -0.05  -0.04
    11   1    -0.07  -0.03  -0.01    -0.01  -0.00   0.01    -0.01  -0.03   0.07
    12   1    -0.16   0.10  -0.14     0.14  -0.06   0.45    -0.10   0.06  -0.11
    13   1    -0.03   0.24   0.14     0.09  -0.33  -0.38     0.00   0.15   0.03
    14   1     0.06  -0.05   0.06    -0.26   0.43  -0.15    -0.02  -0.04   0.01
    15   1     0.05  -0.01   0.06     0.04  -0.00   0.06     0.02  -0.01   0.04
    16   1    -0.02   0.01   0.04    -0.01   0.01   0.05    -0.07  -0.03   0.02
    17   1     0.06   0.01  -0.03     0.05  -0.01   0.00     0.03   0.11  -0.05
    18   1     0.05  -0.02  -0.07     0.03  -0.01   0.01    -0.01   0.02  -0.15
    19   6    -0.01  -0.08  -0.03    -0.04  -0.02  -0.03     0.00  -0.06  -0.02
    20   6     0.04   0.17   0.06     0.01   0.03   0.02     0.02   0.07   0.02
    21   1    -0.01  -0.06  -0.03    -0.07  -0.24  -0.14    -0.00  -0.13  -0.05
    22   1     0.01  -0.13   0.00    -0.26   0.11   0.02    -0.05  -0.06   0.02
    23   1    -0.05  -0.10  -0.08     0.16   0.07   0.03     0.06  -0.04  -0.06
    24   1    -0.02  -0.12  -0.04     0.03   0.03   0.02     0.12   0.57   0.20
    25   1     0.34   0.28   0.40     0.06   0.05   0.04    -0.09   0.02  -0.46
    26   1    -0.16   0.55  -0.10    -0.03   0.07   0.04     0.05  -0.30   0.36
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.5026               311.4303               339.2352
 Red. masses --      1.7798                 2.6119                 2.5399
 Frc consts  --      0.0837                 0.1493                 0.1722
 IR Inten    --      1.0083                 1.2944                 0.1091
 RamAct Fr= 1--      0.5200                 1.6806                 2.1092
  Dep-P Fr= 1--      0.7434                 0.1158                 0.4178
  Dep-U Fr= 1--      0.8528                 0.2075                 0.5894
 Alpha2 Fr= 1--      0.0001                 0.0283                 0.0146
 Beta2  Fr= 1--      0.0739                 0.0581                 0.2072
 AlphaG Fr= 1--      0.0016                 0.0708                -0.0049
 Gamma2 Fr= 1--      0.3696                 0.4588                 0.5963
 Delta2 Fr= 1--      0.3392                 0.0294                -0.0754
 Raman1 Fr= 1--       2.080                  6.722                  8.437
 ROA1   Fr= 1--      46.339                 44.980                 54.832
 CID1   Fr= 1--      22.278                  6.691                  6.499
 Raman2 Fr= 1--       0.887                  0.698                  2.486
 ROA2   Fr= 1--       6.158                 10.775                 14.914
 CID2   Fr= 1--       6.943                 15.446                  5.998
 Raman3 Fr= 1--       1.774                  1.395                  4.972
 ROA3   Fr= 1--      46.339                 44.980                 54.832
 CID3   Fr= 1--      26.123                 32.240                 11.027
 RC180  Fr= 1--       0.706                 -0.585                  0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.04     0.01  -0.03   0.00    -0.03   0.03  -0.03
     2   6    -0.02  -0.03  -0.03     0.02  -0.05   0.03    -0.02   0.02  -0.08
     3   6    -0.04  -0.03  -0.11    -0.08   0.07  -0.16    -0.04   0.07   0.08
     4   6    -0.01  -0.02  -0.06    -0.06   0.06  -0.10    -0.09   0.06   0.01
     5   6    -0.02   0.06   0.05     0.01  -0.04   0.05    -0.04  -0.08  -0.00
     6   6     0.02  -0.03   0.02    -0.07   0.05   0.02    -0.08   0.06   0.00
     7   6     0.02  -0.11   0.07    -0.02   0.05  -0.10    -0.03  -0.03  -0.01
     8   6    -0.00  -0.00  -0.03    -0.02  -0.07   0.08     0.04   0.03  -0.09
     9   1     0.04  -0.01  -0.04     0.10  -0.05   0.04    -0.13   0.01  -0.06
    10   1    -0.07   0.00  -0.03     0.12  -0.08   0.08    -0.09   0.03  -0.13
    11   1    -0.06  -0.03  -0.15    -0.14   0.08  -0.23    -0.03   0.06   0.17
    12   1    -0.07   0.03   0.24     0.15  -0.07   0.22     0.08  -0.07  -0.09
    13   1    -0.02  -0.01  -0.00    -0.10  -0.25   0.05    -0.10  -0.13   0.04
    14   1     0.01   0.26   0.03     0.09   0.08   0.04    -0.05  -0.20   0.02
    15   1     0.02  -0.06   0.03     0.03  -0.04   0.16    -0.03   0.08   0.04
    16   1     0.05   0.03   0.04    -0.23   0.14   0.11    -0.09   0.10   0.02
    17   1     0.02  -0.25   0.04    -0.02   0.21  -0.07    -0.03  -0.18  -0.04
    18   1     0.05  -0.09   0.21    -0.01   0.03  -0.26     0.01  -0.02   0.14
    19   6     0.01   0.12   0.01     0.19  -0.07   0.11     0.10  -0.01  -0.10
    20   6     0.03   0.04   0.06    -0.03   0.02   0.02     0.14  -0.08   0.16
    21   1     0.05   0.47   0.17     0.23  -0.18   0.26     0.13  -0.09  -0.03
    22   1     0.32  -0.00  -0.11     0.20   0.02   0.02     0.11   0.00  -0.11
    23   1    -0.29  -0.00   0.03     0.34  -0.01   0.09     0.18   0.02  -0.17
    24   1     0.14   0.24   0.14    -0.08   0.09   0.04     0.44  -0.17   0.16
    25   1     0.00   0.02  -0.10     0.04   0.04  -0.05     0.05  -0.11   0.35
    26   1    -0.02  -0.10   0.24    -0.05   0.03   0.04     0.02  -0.10   0.31
                     10                     11                     12
                      A                      A                      A
 Frequencies --    352.8372               411.0305               444.4611
 Red. masses --      2.2999                 2.1524                 3.3233
 Frc consts  --      0.1687                 0.2142                 0.3868
 IR Inten    --      0.7453                 1.4835                 0.1243
 RamAct Fr= 1--      1.5339                 1.8718                 4.3338
  Dep-P Fr= 1--      0.3089                 0.7445                 0.2185
  Dep-U Fr= 1--      0.4720                 0.8535                 0.3587
 Alpha2 Fr= 1--      0.0153                 0.0002                 0.0560
 Beta2  Fr= 1--      0.1207                 0.2663                 0.2591
 AlphaG Fr= 1--     -0.0314                 0.0001                 0.1095
 Gamma2 Fr= 1--     -0.3384                 1.3685                 0.4031
 Delta2 Fr= 1--     -0.0669                 0.5127                 0.2466
 Raman1 Fr= 1--       6.136                  7.487                 17.335
 ROA1   Fr= 1--     -34.626                147.787                 46.587
 CID1   Fr= 1--      -5.643                 19.738                  2.687
 Raman2 Fr= 1--       1.448                  3.195                  3.109
 ROA2   Fr= 1--      -7.585                 28.743                  7.701
 CID2   Fr= 1--      -5.238                  8.995                  2.477
 Raman3 Fr= 1--       2.896                  6.391                  6.218
 ROA3   Fr= 1--     -34.626                147.787                 46.587
 CID3   Fr= 1--     -11.956                 23.125                  7.493
 RC180  Fr= 1--      -0.056                  0.707                 -0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.02    -0.09   0.05  -0.07     0.02   0.06   0.04
     2   6    -0.01   0.07   0.04     0.03   0.00   0.04     0.16  -0.00   0.11
     3   6     0.04  -0.06  -0.06    -0.06  -0.01  -0.06    -0.07   0.06  -0.02
     4   6     0.03  -0.12   0.01     0.01  -0.05   0.18    -0.16  -0.04  -0.02
     5   6    -0.08   0.14   0.04    -0.04  -0.06  -0.02    -0.19  -0.07   0.06
     6   6    -0.03  -0.13   0.00     0.10  -0.02  -0.04    -0.02  -0.04  -0.02
     7   6    -0.09   0.04  -0.03     0.06   0.06   0.02     0.03  -0.01  -0.03
     8   6     0.02   0.06  -0.00    -0.06  -0.07  -0.04     0.16  -0.06   0.00
     9   1     0.05   0.15  -0.03    -0.10   0.12  -0.09    -0.05   0.11   0.00
    10   1    -0.01   0.10   0.05     0.09  -0.01   0.08     0.17   0.01   0.13
    11   1     0.13  -0.06  -0.15    -0.07   0.01  -0.23    -0.01   0.06  -0.10
    12   1    -0.37   0.13   0.16    -0.01  -0.04  -0.15    -0.17  -0.08   0.11
    13   1     0.04   0.30  -0.01     0.06   0.00  -0.11    -0.25  -0.12   0.09
    14   1    -0.04   0.34   0.02    -0.23  -0.18  -0.04    -0.12  -0.04   0.07
    15   1    -0.05  -0.18   0.00    -0.04   0.24  -0.31     0.03   0.06  -0.02
    16   1    -0.10  -0.18  -0.00     0.36  -0.27  -0.24    -0.01  -0.04  -0.03
    17   1    -0.07   0.17  -0.00     0.06   0.20   0.05    -0.03   0.17   0.01
    18   1    -0.21   0.04  -0.15     0.02   0.05  -0.12    -0.04  -0.02  -0.18
    19   6     0.08  -0.03  -0.03     0.06   0.02   0.00    -0.09   0.04   0.00
    20   6     0.04  -0.08   0.04    -0.04   0.02   0.05     0.19   0.02  -0.09
    21   1     0.09  -0.17  -0.01     0.10   0.04   0.15    -0.17   0.19  -0.26
    22   1     0.02  -0.02   0.01     0.14   0.13  -0.15    -0.20   0.06   0.07
    23   1     0.21   0.01  -0.10     0.12   0.05   0.07    -0.25  -0.00   0.22
    24   1     0.12  -0.24  -0.00     0.04   0.07   0.08     0.08   0.09  -0.08
    25   1    -0.07  -0.11   0.21     0.05   0.05   0.05     0.29   0.05  -0.19
    26   1     0.07  -0.06  -0.01    -0.16   0.05   0.15     0.19   0.05  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.8321               522.6902               528.1664
 Red. masses --      2.6327                 3.3624                 2.5715
 Frc consts  --      0.3616                 0.5412                 0.4226
 IR Inten    --      0.5792                 1.4269                 1.4240
 RamAct Fr= 1--      2.2805                 2.9200                 1.6412
  Dep-P Fr= 1--      0.5031                 0.5480                 0.1982
  Dep-U Fr= 1--      0.6694                 0.7080                 0.3308
 Alpha2 Fr= 1--      0.0111                 0.0113                 0.0224
 Beta2  Fr= 1--      0.2544                 0.3446                 0.0905
 AlphaG Fr= 1--     -0.0126                 0.0042                 0.0387
 Gamma2 Fr= 1--      0.1720                -0.7582                 0.0045
 Delta2 Fr= 1--     -0.0007                -0.4152                -0.1755
 Raman1 Fr= 1--       9.122                 11.680                  6.565
 ROA1   Fr= 1--      16.492                -86.070                 -5.184
 CID1   Fr= 1--       1.808                 -7.369                 -0.790
 Raman2 Fr= 1--       3.053                  4.135                  1.086
 ROA2   Fr= 1--       4.135                -14.875                  1.512
 CID2   Fr= 1--       1.354                 -3.597                  1.393
 Raman3 Fr= 1--       6.107                  8.270                  2.172
 ROA3   Fr= 1--      16.492                -86.070                 -5.184
 CID3   Fr= 1--       2.701                -10.408                 -2.387
 RC180  Fr= 1--       0.339                  0.416                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.06     0.10  -0.03  -0.07     0.01   0.13  -0.11
     2   6     0.06   0.07  -0.15    -0.01  -0.06  -0.03     0.13   0.05  -0.03
     3   6    -0.05   0.04  -0.06     0.02   0.14  -0.08     0.09   0.08   0.11
     4   6    -0.06  -0.03   0.06     0.08   0.05   0.26    -0.03  -0.02  -0.02
     5   6    -0.10  -0.05   0.03     0.05   0.05   0.00    -0.05   0.01   0.01
     6   6     0.07  -0.03  -0.02    -0.16   0.04  -0.01    -0.02  -0.05  -0.02
     7   6     0.10  -0.08  -0.05    -0.14  -0.12  -0.07     0.04  -0.11  -0.08
     8   6    -0.00   0.19   0.10     0.05  -0.04   0.03    -0.09  -0.11  -0.02
     9   1     0.18  -0.21   0.17     0.16  -0.12  -0.03    -0.04   0.03  -0.10
    10   1     0.04   0.06  -0.18     0.02   0.03   0.08     0.34   0.10   0.18
    11   1    -0.04   0.05  -0.23    -0.11   0.17  -0.27     0.31   0.03   0.37
    12   1    -0.08  -0.05   0.03     0.01   0.08  -0.14    -0.13   0.01  -0.01
    13   1    -0.10  -0.07   0.01     0.25   0.19  -0.16    -0.01   0.08   0.01
    14   1    -0.13  -0.07   0.03    -0.22  -0.04  -0.05    -0.04   0.03   0.00
    15   1     0.12   0.13  -0.05    -0.14   0.18  -0.05     0.14  -0.13   0.18
    16   1     0.13  -0.09  -0.07    -0.20  -0.21  -0.12    -0.21   0.07   0.10
    17   1     0.17  -0.32  -0.11    -0.23  -0.31  -0.09     0.01  -0.26  -0.11
    18   1     0.06  -0.05   0.20    -0.01  -0.11   0.13    -0.00  -0.09   0.10
    19   6     0.01  -0.05   0.04    -0.02  -0.01   0.06     0.01  -0.01   0.05
    20   6    -0.07   0.02   0.01     0.06  -0.01  -0.04    -0.11   0.02   0.02
    21   1     0.01  -0.22   0.03    -0.04   0.07  -0.01     0.05   0.03   0.21
    22   1    -0.02  -0.26   0.26    -0.03   0.00   0.06     0.10   0.11  -0.13
    23   1     0.05  -0.07  -0.29    -0.09  -0.03   0.14     0.06   0.03   0.15
    24   1    -0.13  -0.04  -0.01    -0.03   0.00  -0.04    -0.15   0.09   0.04
    25   1    -0.21  -0.03   0.01     0.09  -0.00  -0.09     0.03   0.07  -0.03
    26   1     0.09  -0.05  -0.09     0.11  -0.00  -0.09    -0.21   0.09   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    705.0335               737.0633               764.2289
 Red. masses --      3.2620                 3.0226                 2.2186
 Frc consts  --      0.9553                 0.9675                 0.7635
 IR Inten    --      0.6233                 1.6513                 2.6890
 RamAct Fr= 1--      6.6045                 7.8404                 6.1105
  Dep-P Fr= 1--      0.2973                 0.0162                 0.2532
  Dep-U Fr= 1--      0.4583                 0.0319                 0.4041
 Alpha2 Fr= 1--      0.0683                 0.1678                 0.0718
 Beta2  Fr= 1--      0.5045                 0.0416                 0.4116
 AlphaG Fr= 1--     -0.1394                -0.2681                 0.2467
 Gamma2 Fr= 1--      0.0859                -0.9522                -3.1463
 Delta2 Fr= 1--      0.2392                -0.2200                -0.7268
 Raman1 Fr= 1--      26.418                 31.361                 24.442
 ROA1   Fr= 1--      15.901                -98.455               -325.303
 CID1   Fr= 1--       0.602                 -3.139                -13.309
 Raman2 Fr= 1--       6.054                  0.500                  4.939
 ROA2   Fr= 1--       0.147                -21.094                -69.697
 CID2   Fr= 1--       0.024                -42.226                -14.112
 Raman3 Fr= 1--      12.108                  0.999                  9.878
 ROA3   Fr= 1--      15.901                -98.455               -325.303
 CID3   Fr= 1--       1.313                -98.544                -32.933
 RC180  Fr= 1--      -0.083                 -0.936                 -0.192
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.17  -0.04    -0.16   0.06   0.19     0.04  -0.05   0.06
     2   6    -0.13   0.02  -0.14     0.11   0.05   0.09     0.06   0.10  -0.01
     3   6    -0.03  -0.05  -0.00    -0.12  -0.03   0.01     0.00  -0.13  -0.05
     4   6     0.02  -0.03  -0.01     0.01   0.03   0.03     0.05  -0.07   0.03
     5   6     0.05   0.01  -0.01     0.16   0.07  -0.04    -0.05  -0.04   0.02
     6   6     0.04  -0.01  -0.01     0.03  -0.10  -0.06    -0.05   0.12  -0.05
     7   6     0.02   0.04  -0.02    -0.00  -0.09  -0.12     0.01   0.17   0.00
     8   6     0.03  -0.04   0.03     0.00  -0.00  -0.01    -0.02  -0.07  -0.03
     9   1    -0.27   0.29  -0.10    -0.25   0.13   0.14     0.09  -0.06   0.08
    10   1    -0.23  -0.05  -0.29     0.03  -0.06  -0.06     0.11  -0.01  -0.08
    11   1     0.11  -0.07   0.07    -0.25   0.03  -0.37     0.01  -0.13  -0.13
    12   1     0.04   0.02  -0.03     0.28   0.07  -0.04    -0.15  -0.04   0.01
    13   1     0.07   0.03  -0.03     0.12   0.01  -0.02     0.02   0.03  -0.02
    14   1     0.03   0.01  -0.02     0.17   0.03  -0.03    -0.11  -0.03   0.00
    15   1     0.04  -0.08   0.02     0.23  -0.14   0.16     0.05  -0.06   0.14
    16   1    -0.02   0.02   0.02    -0.30  -0.12   0.03    -0.35   0.12   0.04
    17   1     0.09  -0.18  -0.08    -0.17  -0.22  -0.12    -0.16  -0.38  -0.08
    18   1     0.02   0.06   0.18    -0.08  -0.07   0.08     0.16   0.22   0.56
    19   6    -0.02  -0.08   0.24     0.01   0.03  -0.08    -0.01  -0.01  -0.02
    20   6     0.16  -0.02  -0.05    -0.02   0.00   0.01    -0.00  -0.02  -0.01
    21   1    -0.02  -0.07   0.24    -0.01   0.01  -0.14     0.00   0.01   0.00
    22   1    -0.03  -0.10   0.26    -0.02   0.01  -0.04     0.01   0.05  -0.09
    23   1    -0.05  -0.09   0.28    -0.01   0.02  -0.11    -0.00   0.00   0.06
    24   1     0.09   0.03  -0.04     0.04   0.04   0.03    -0.00   0.05   0.01
    25   1     0.27   0.02  -0.12     0.05   0.02   0.03     0.13   0.03  -0.03
    26   1     0.17   0.02  -0.08    -0.11   0.03   0.08    -0.11   0.06   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    788.5656               844.2706               882.3203
 Red. masses --      2.1845                 2.1540                 1.6054
 Frc consts  --      0.8003                 0.9046                 0.7364
 IR Inten    --      3.0379                 7.8695                 7.1651
 RamAct Fr= 1--      3.9355                 4.1370                 7.0997
  Dep-P Fr= 1--      0.6532                 0.1650                 0.2655
  Dep-U Fr= 1--      0.7902                 0.2832                 0.4196
 Alpha2 Fr= 1--      0.0068                 0.0616                 0.0805
 Beta2  Fr= 1--      0.5183                 0.1953                 0.4966
 AlphaG Fr= 1--     -0.0900                -0.2213                 0.2811
 Gamma2 Fr= 1--      2.4193                 1.1954                -1.8490
 Delta2 Fr= 1--      0.2699                -0.3648                -0.8156
 Raman1 Fr= 1--      15.742                 16.548                 28.399
 ROA1   Fr= 1--     240.887                103.083               -203.599
 CID1   Fr= 1--      15.302                  6.229                 -7.169
 Raman2 Fr= 1--       6.220                  2.344                  5.959
 ROA2   Fr= 1--      55.903                 31.607                -37.851
 CID2   Fr= 1--       8.988                 13.487                 -6.352
 Raman3 Fr= 1--      12.440                  4.687                 11.918
 ROA3   Fr= 1--     240.887                103.083               -203.599
 CID3   Fr= 1--      19.364                 21.993                -17.084
 RC180  Fr= 1--       0.580                 -0.434                 -0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.13    -0.03  -0.09  -0.10     0.02   0.02   0.12
     2   6     0.00  -0.11   0.14     0.13   0.11  -0.03    -0.03   0.01  -0.02
     3   6    -0.04  -0.10  -0.05    -0.14  -0.06  -0.03    -0.03   0.06  -0.15
     4   6     0.02  -0.01   0.04    -0.03   0.04   0.00     0.00   0.00   0.03
     5   6    -0.02  -0.02   0.03     0.07   0.04  -0.01     0.01  -0.01   0.03
     6   6     0.02   0.08  -0.06    -0.02  -0.07   0.02     0.01  -0.03  -0.01
     7   6     0.05  -0.03  -0.05    -0.05   0.03   0.06     0.01  -0.02   0.01
     8   6     0.03   0.13   0.05    -0.03   0.04  -0.01     0.01  -0.05   0.01
     9   1    -0.04   0.27  -0.19     0.11  -0.39   0.02     0.16   0.10   0.15
    10   1     0.02  -0.07   0.19     0.32   0.21   0.20    -0.20  -0.05  -0.20
    11   1     0.03  -0.15   0.37    -0.15  -0.11   0.52     0.28  -0.05   0.74
    12   1    -0.01   0.00  -0.10     0.20   0.06  -0.11    -0.04   0.02  -0.11
    13   1     0.09   0.03  -0.09     0.08  -0.01  -0.06     0.16   0.08  -0.11
    14   1    -0.21  -0.11  -0.01    -0.03  -0.06  -0.02    -0.20  -0.05  -0.02
    15   1     0.23  -0.06   0.22    -0.12  -0.09  -0.06     0.01  -0.07   0.01
    16   1    -0.29   0.21   0.10     0.08  -0.06  -0.00     0.01   0.04   0.02
    17   1    -0.16  -0.05  -0.03     0.02   0.05   0.05     0.04   0.05   0.01
    18   1     0.25  -0.05  -0.03    -0.27   0.05   0.06    -0.02  -0.02  -0.06
    19   6     0.01   0.03  -0.00    -0.01  -0.00   0.06     0.02   0.01  -0.04
    20   6     0.01   0.03   0.01     0.07   0.00  -0.03    -0.02  -0.03   0.00
    21   1    -0.00  -0.00  -0.04    -0.00  -0.06   0.10    -0.00   0.02  -0.12
    22   1    -0.01  -0.06   0.10     0.01  -0.06   0.09    -0.02   0.00  -0.01
    23   1    -0.00   0.01  -0.11     0.02  -0.00  -0.04    -0.01  -0.00  -0.02
    24   1    -0.02  -0.09  -0.03     0.11  -0.00  -0.03    -0.05   0.06   0.03
    25   1    -0.25  -0.05   0.05     0.05  -0.00  -0.01     0.13   0.03  -0.03
    26   1     0.22  -0.09  -0.10     0.06  -0.01  -0.01    -0.14   0.06   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --    919.3963               972.4625               973.0075
 Red. masses --      2.4308                 1.6328                 1.2734
 Frc consts  --      1.2106                 0.9098                 0.7103
 IR Inten    --      0.6923                 4.1666                 0.2996
 RamAct Fr= 1--      7.3418                 3.1595                 2.7382
  Dep-P Fr= 1--      0.4515                 0.5828                 0.2585
  Dep-U Fr= 1--      0.6221                 0.7364                 0.4108
 Alpha2 Fr= 1--      0.0447                 0.0099                 0.0317
 Beta2  Fr= 1--      0.7613                 0.3878                 0.1875
 AlphaG Fr= 1--     -0.0560                -0.0104                 0.0213
 Gamma2 Fr= 1--      0.0984                 1.4340                -0.9140
 Delta2 Fr= 1--      0.8025                 0.0071                -0.3609
 Raman1 Fr= 1--      29.367                 12.638                 10.953
 ROA1   Fr= 1--      35.126                137.892                -99.299
 CID1   Fr= 1--       1.196                 10.911                 -9.066
 Raman2 Fr= 1--       9.135                  4.653                  2.250
 ROA2   Fr= 1--      -4.059                 34.359                -19.050
 CID2   Fr= 1--      -0.444                  7.384                 -8.467
 Raman3 Fr= 1--      18.270                  9.306                  4.500
 ROA3   Fr= 1--      35.126                137.892                -99.299
 CID3   Fr= 1--       1.923                 14.817                -22.067
 RC180  Fr= 1--       0.244                  0.473                 -0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.06  -0.00     0.05  -0.05  -0.05    -0.05   0.03  -0.00
     2   6    -0.11   0.06   0.04     0.04  -0.01  -0.01    -0.02  -0.01  -0.01
     3   6     0.01   0.04   0.01    -0.02   0.03   0.00     0.01   0.00   0.00
     4   6     0.02   0.07   0.02    -0.01   0.03   0.00     0.01  -0.02  -0.00
     5   6    -0.09   0.03   0.04    -0.01   0.03  -0.01     0.00  -0.02   0.01
     6   6     0.23  -0.07  -0.07    -0.02  -0.09   0.01     0.03   0.03  -0.03
     7   6    -0.09   0.01  -0.03     0.02   0.08   0.01    -0.02  -0.01   0.02
     8   6    -0.04  -0.02  -0.04     0.09   0.00  -0.02     0.02   0.00  -0.03
     9   1     0.07   0.03  -0.04    -0.21   0.36  -0.25     0.10  -0.33   0.14
    10   1    -0.15   0.12   0.07    -0.10  -0.17  -0.27     0.07   0.10   0.16
    11   1    -0.12   0.06  -0.04    -0.13   0.03   0.12     0.08   0.01  -0.09
    12   1     0.27   0.04  -0.08     0.16   0.03  -0.01    -0.07  -0.01  -0.00
    13   1    -0.20  -0.22   0.00    -0.11  -0.10   0.03     0.06   0.05  -0.02
    14   1    -0.19  -0.23   0.05     0.03  -0.05   0.02    -0.04   0.01  -0.01
    15   1     0.44  -0.20   0.21    -0.12  -0.12  -0.07     0.08  -0.03   0.06
    16   1    -0.12   0.09   0.12    -0.06  -0.22  -0.05    -0.02   0.12   0.04
    17   1    -0.24  -0.07  -0.03     0.01  -0.13  -0.03    -0.05   0.06   0.03
    18   1    -0.25   0.03   0.07    -0.03   0.11   0.23     0.01  -0.03  -0.07
    19   6    -0.03  -0.04   0.02     0.07  -0.03   0.03     0.08  -0.01   0.04
    20   6     0.04   0.00  -0.03    -0.10   0.04   0.03    -0.05   0.01  -0.07
    21   1     0.01   0.00   0.16    -0.04   0.15  -0.31    -0.05   0.12  -0.37
    22   1     0.03   0.09  -0.14    -0.13   0.01   0.14    -0.18  -0.06   0.28
    23   1     0.03   0.00   0.13    -0.15  -0.09   0.27    -0.19  -0.10   0.20
    24   1     0.12  -0.04  -0.03    -0.06  -0.05   0.01     0.42  -0.02  -0.04
    25   1    -0.01  -0.02   0.03    -0.26  -0.02   0.09    -0.10   0.01   0.22
    26   1     0.03  -0.02   0.00    -0.04  -0.04   0.03    -0.28  -0.04   0.24
                     25                     26                     27
                      A                      A                      A
 Frequencies --    978.3766               990.1921              1008.2133
 Red. masses --      2.1150                 2.0713                 1.4900
 Frc consts  --      1.1928                 1.1965                 0.8924
 IR Inten    --      0.1249                 2.9968                 4.8211
 RamAct Fr= 1--     19.8327                 2.9611                 5.5510
  Dep-P Fr= 1--      0.6506                 0.7218                 0.1984
  Dep-U Fr= 1--      0.7883                 0.8384                 0.3311
 Alpha2 Fr= 1--      0.0354                 0.0014                 0.0757
 Beta2  Fr= 1--      2.6057                 0.4138                 0.3064
 AlphaG Fr= 1--     -0.0945                -0.0326                 0.1063
 Gamma2 Fr= 1--     -2.0714                -2.3497                -0.8163
 Delta2 Fr= 1--     -0.0668                -1.4586                -0.0094
 Raman1 Fr= 1--      79.331                 11.844                 22.204
 ROA1   Fr= 1--    -200.990               -272.248                -78.670
 CID1   Fr= 1--      -2.534                -22.986                 -3.543
 Raman2 Fr= 1--      31.268                  4.965                  3.676
 ROA2   Fr= 1--     -49.179                -44.724                -19.517
 CID2   Fr= 1--      -1.573                 -9.007                 -5.309
 Raman3 Fr= 1--      62.536                  9.931                  7.353
 ROA3   Fr= 1--    -200.990               -272.248                -78.670
 CID3   Fr= 1--      -3.214                -27.415                -10.700
 RC180  Fr= 1--       0.577                  0.677                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.04   0.04    -0.02  -0.09  -0.01    -0.01   0.02  -0.06
     2   6     0.07   0.12   0.03     0.06  -0.04   0.06     0.06   0.00  -0.03
     3   6    -0.01  -0.11  -0.01     0.04   0.14   0.01     0.02  -0.05   0.04
     4   6     0.01   0.01   0.00    -0.00  -0.01   0.00     0.02   0.02  -0.01
     5   6    -0.00  -0.01   0.00     0.02  -0.04   0.01    -0.03   0.04   0.05
     6   6    -0.04   0.09   0.05    -0.04  -0.07  -0.09    -0.01   0.01  -0.05
     7   6    -0.01  -0.13  -0.05     0.08   0.05   0.07    -0.03  -0.02   0.07
     8   6    -0.02   0.01  -0.09    -0.06   0.05  -0.06     0.05  -0.01   0.01
     9   1    -0.06   0.51  -0.16    -0.12  -0.05  -0.05     0.06  -0.01  -0.03
    10   1    -0.27   0.12  -0.22    -0.24  -0.16  -0.28    -0.22   0.05  -0.21
    11   1    -0.12  -0.10   0.03    -0.03   0.16  -0.07    -0.06  -0.02  -0.23
    12   1    -0.03  -0.01   0.00    -0.22  -0.04   0.02     0.19   0.05  -0.11
    13   1     0.01   0.01  -0.00     0.15   0.15  -0.03    -0.01  -0.09  -0.07
    14   1    -0.01  -0.00  -0.00    -0.03   0.09  -0.02    -0.23  -0.18   0.03
    15   1    -0.00   0.30  -0.02     0.00  -0.26   0.04    -0.00  -0.16   0.04
    16   1     0.16   0.10  -0.01    -0.25  -0.01   0.00    -0.06   0.19   0.05
    17   1     0.06   0.14  -0.00    -0.07   0.09   0.10    -0.06   0.20   0.11
    18   1    -0.08  -0.14  -0.26     0.14   0.04   0.00    -0.09  -0.04  -0.16
    19   6    -0.03  -0.03   0.09    -0.07   0.02   0.07     0.03   0.05   0.01
    20   6    -0.03   0.01  -0.06     0.02   0.00  -0.07    -0.04  -0.08   0.04
    21   1    -0.01  -0.06   0.18     0.01  -0.19   0.33    -0.01  -0.08  -0.12
    22   1     0.01  -0.01   0.02     0.09  -0.11   0.07    -0.02  -0.15   0.24
    23   1     0.02  -0.01   0.07     0.10   0.05  -0.26    -0.02   0.00  -0.23
    24   1     0.27  -0.02  -0.04     0.31   0.01  -0.04    -0.30   0.17   0.10
    25   1    -0.08   0.00   0.13     0.01   0.01   0.09     0.34   0.05  -0.16
    26   1    -0.21  -0.01   0.15    -0.15  -0.00   0.13    -0.20   0.15  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.7123              1043.8992              1076.7060
 Red. masses --      1.4043                 1.5494                 1.4637
 Frc consts  --      0.8910                 0.9948                 0.9998
 IR Inten    --      2.3209                 3.7899                 0.0668
 RamAct Fr= 1--      1.5077                 3.2681                 2.3323
  Dep-P Fr= 1--      0.7499                 0.4678                 0.2002
  Dep-U Fr= 1--      0.8571                 0.6374                 0.3336
 Alpha2 Fr= 1--      0.0000                 0.0186                 0.0317
 Beta2  Fr= 1--      0.2154                 0.3472                 0.1297
 AlphaG Fr= 1--      0.0017                 0.0493                -0.0901
 Gamma2 Fr= 1--     -0.4738                -0.4706                 1.2279
 Delta2 Fr= 1--      0.7624                -0.2231                 0.4884
 Raman1 Fr= 1--       6.031                 13.072                  9.329
 ROA1   Fr= 1--     -21.091                -52.312                133.505
 CID1   Fr= 1--      -3.497                 -4.002                 14.310
 Raman2 Fr= 1--       2.585                  4.166                  1.556
 ROA2   Fr= 1--     -17.471                 -9.509                 25.561
 CID2   Fr= 1--      -6.760                 -2.282                 16.426
 Raman3 Fr= 1--       5.169                  8.332                  3.112
 ROA3   Fr= 1--     -21.091                -52.312                133.505
 CID3   Fr= 1--      -4.080                 -6.278                 42.896
 RC180  Fr= 1--       0.714                  0.275                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.00     0.01   0.05   0.05    -0.02   0.02  -0.03
     2   6     0.02   0.05  -0.04    -0.01  -0.00  -0.03     0.03   0.03  -0.00
     3   6    -0.04   0.02   0.03     0.02  -0.04  -0.00    -0.02  -0.01  -0.02
     4   6    -0.03  -0.01  -0.03     0.00   0.01  -0.02     0.02  -0.02   0.10
     5   6     0.06  -0.07   0.05    -0.02   0.09   0.06    -0.02   0.01  -0.10
     6   6     0.02   0.01  -0.06    -0.10  -0.03  -0.04    -0.01   0.02  -0.06
     7   6    -0.01  -0.02   0.04     0.09  -0.02   0.04     0.03  -0.03   0.06
     8   6     0.03  -0.01  -0.00    -0.02   0.00  -0.00     0.02   0.01  -0.02
     9   1    -0.12  -0.04  -0.04     0.12  -0.05   0.12     0.16  -0.28   0.11
    10   1    -0.05   0.05  -0.09     0.07   0.00   0.05    -0.32   0.11  -0.21
    11   1    -0.17   0.05  -0.14     0.10  -0.03  -0.17     0.03  -0.03   0.12
    12   1    -0.31  -0.04  -0.07     0.40   0.12  -0.19     0.03  -0.04   0.21
    13   1     0.39   0.27  -0.14    -0.03  -0.16  -0.11    -0.31  -0.10   0.21
    14   1    -0.21   0.08  -0.05    -0.30  -0.28   0.05     0.42   0.11   0.00
    15   1     0.09  -0.08   0.07    -0.22  -0.22  -0.06     0.10  -0.03   0.08
    16   1     0.03   0.27   0.07    -0.09   0.01  -0.02    -0.21   0.01  -0.00
    17   1     0.03   0.12   0.06     0.17   0.09   0.05    -0.11   0.18   0.12
    18   1    -0.18  -0.02  -0.08     0.23  -0.05  -0.11     0.09  -0.06  -0.15
    19   6     0.01  -0.06  -0.02    -0.03  -0.05  -0.02    -0.00  -0.06  -0.00
    20   6    -0.00   0.04   0.06     0.01   0.05  -0.02    -0.01   0.01   0.03
    21   1     0.00   0.13  -0.03     0.01   0.05   0.13     0.00   0.09   0.04
    22   1    -0.02   0.14  -0.18     0.04   0.13  -0.23    -0.00   0.11  -0.16
    23   1    -0.02  -0.03   0.29     0.04   0.01   0.19     0.01  -0.02   0.23
    24   1    -0.21  -0.07   0.00     0.16  -0.10  -0.06    -0.12  -0.01   0.01
    25   1    -0.19  -0.03  -0.04    -0.21  -0.03   0.09    -0.07  -0.01  -0.03
    26   1     0.24  -0.05  -0.13     0.12  -0.09   0.00     0.10  -0.01  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1089.2258              1116.7563              1158.8464
 Red. masses --      1.8128                 1.6061                 1.7977
 Frc consts  --      1.2672                 1.1801                 1.4224
 IR Inten    --      2.5339                 0.7901                 3.8988
 RamAct Fr= 1--      5.6758                 3.1740                 5.3961
  Dep-P Fr= 1--      0.3983                 0.6294                 0.7380
  Dep-U Fr= 1--      0.5697                 0.7726                 0.8492
 Alpha2 Fr= 1--      0.0423                 0.0070                 0.0011
 Beta2  Fr= 1--      0.5389                 0.4087                 0.7638
 AlphaG Fr= 1--     -0.0311                -0.0195                -0.0105
 Gamma2 Fr= 1--      0.0848                -3.3050                 2.5036
 Delta2 Fr= 1--      0.4208                -0.7696                -0.0663
 Raman1 Fr= 1--      22.703                 12.696                 21.585
 ROA1   Fr= 1--      21.603               -341.907                238.220
 CID1   Fr= 1--       0.952                -26.930                 11.037
 Raman2 Fr= 1--       6.467                  4.904                  9.165
 ROA2   Fr= 1--      -1.332                -73.163                 60.616
 CID2   Fr= 1--      -0.206                -14.918                  6.614
 Raman3 Fr= 1--      12.934                  9.809                 18.330
 ROA3   Fr= 1--      21.603               -341.907                238.220
 CID3   Fr= 1--       1.670                -34.857                 12.996
 RC180  Fr= 1--       0.139                  0.545                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.02   0.02     0.02   0.03  -0.08    -0.02  -0.02   0.01
     2   6    -0.13   0.06  -0.05    -0.04   0.02   0.10     0.02  -0.06  -0.04
     3   6    -0.07  -0.00   0.02    -0.02  -0.01   0.06     0.00   0.00  -0.01
     4   6    -0.02   0.00   0.05    -0.07   0.00  -0.06     0.03   0.01   0.02
     5   6     0.02  -0.02  -0.03     0.04  -0.01   0.03    -0.01  -0.01  -0.01
     6   6    -0.04  -0.04  -0.08    -0.01  -0.04   0.05    -0.00   0.00  -0.02
     7   6     0.12  -0.01   0.03     0.06   0.02  -0.06    -0.03   0.00   0.02
     8   6    -0.01  -0.01  -0.00    -0.00   0.05   0.02     0.05   0.18   0.08
     9   1    -0.03   0.34  -0.11     0.48  -0.15   0.13    -0.15   0.17  -0.08
    10   1     0.24   0.32   0.48    -0.41   0.12  -0.10     0.27  -0.14   0.07
    11   1    -0.29   0.02   0.03    -0.24   0.01   0.01    -0.01   0.00   0.01
    12   1    -0.08  -0.03   0.07    -0.03   0.01  -0.08    -0.03  -0.02   0.04
    13   1     0.01   0.06   0.05     0.17   0.08  -0.08    -0.05  -0.01   0.03
    14   1     0.15   0.10  -0.02    -0.10   0.03  -0.02     0.04   0.00   0.00
    15   1     0.02  -0.17   0.04     0.02   0.15  -0.03    -0.04  -0.11  -0.00
    16   1    -0.22  -0.03  -0.02    -0.04  -0.27  -0.06     0.07   0.17   0.04
    17   1     0.12   0.09   0.05    -0.01  -0.11  -0.08     0.07  -0.00   0.00
    18   1     0.24  -0.04  -0.12     0.25   0.02   0.07    -0.14   0.01   0.02
    19   6     0.02   0.03   0.01     0.01  -0.04  -0.02    -0.03  -0.09  -0.04
    20   6    -0.00  -0.04   0.01    -0.00  -0.06  -0.01    -0.03  -0.09  -0.05
    21   1    -0.01  -0.03  -0.10     0.00   0.10  -0.01     0.02   0.18   0.15
    22   1    -0.03  -0.07   0.14    -0.02   0.11  -0.13     0.01   0.22  -0.34
    23   1    -0.04  -0.01  -0.07    -0.00  -0.02   0.20     0.09   0.01   0.31
    24   1    -0.07   0.05   0.03    -0.01   0.11   0.04     0.11   0.20   0.06
    25   1     0.17   0.02  -0.06     0.23   0.03  -0.03     0.36   0.05   0.02
    26   1    -0.08   0.06   0.00    -0.16   0.09   0.03    -0.37   0.14   0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1172.0732              1184.0870              1211.8555
 Red. masses --      1.5207                 2.6336                 1.6678
 Frc consts  --      1.2309                 2.1756                 1.4431
 IR Inten    --      1.8467                 1.8526                 0.9489
 RamAct Fr= 1--      3.1795                 2.8449                 2.8463
  Dep-P Fr= 1--      0.2953                 0.7389                 0.4646
  Dep-U Fr= 1--      0.4560                 0.8498                 0.6345
 Alpha2 Fr= 1--      0.0331                 0.0005                 0.0164
 Beta2  Fr= 1--      0.2416                 0.4029                 0.3010
 AlphaG Fr= 1--      0.1158                 0.0000                 0.0769
 Gamma2 Fr= 1--     -0.1914                -0.7722                 0.7761
 Delta2 Fr= 1--      0.4509                 0.4816                -0.2032
 Raman1 Fr= 1--      12.718                 11.379                 11.385
 ROA1   Fr= 1--      -3.947                -58.717                 68.001
 CID1   Fr= 1--      -0.310                 -5.160                  5.973
 Raman2 Fr= 1--       2.900                  4.835                  3.612
 ROA2   Fr= 1--      -8.202                -22.386                 20.252
 CID2   Fr= 1--      -2.829                 -4.630                  5.607
 Raman3 Fr= 1--       5.799                  9.671                  7.224
 ROA3   Fr= 1--      -3.947                -58.717                 68.001
 CID3   Fr= 1--      -0.681                 -6.072                  9.413
 RC180  Fr= 1--      -0.088                  0.700                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.02    -0.11  -0.06   0.02     0.00  -0.05  -0.04
     2   6     0.02  -0.06  -0.03    -0.00   0.10   0.08    -0.03   0.05   0.09
     3   6    -0.04  -0.04   0.04     0.07   0.01  -0.04     0.02   0.03   0.01
     4   6     0.06   0.08   0.02     0.21   0.15  -0.04    -0.05  -0.07   0.06
     5   6    -0.02  -0.05  -0.02    -0.10  -0.06   0.02     0.01   0.04  -0.03
     6   6     0.01  -0.02  -0.02    -0.03  -0.02   0.03    -0.06  -0.01  -0.06
     7   6    -0.03   0.01   0.01     0.04  -0.05  -0.07     0.05  -0.00  -0.03
     8   6    -0.00  -0.06   0.05    -0.08   0.03  -0.01    -0.12  -0.00   0.04
     9   1     0.53   0.21   0.14    -0.24  -0.17   0.00     0.15   0.07  -0.02
    10   1     0.08  -0.24  -0.15    -0.09   0.14   0.05    -0.03  -0.23  -0.16
    11   1    -0.46   0.00   0.07    -0.26   0.04   0.09     0.13   0.02  -0.10
    12   1    -0.20  -0.06   0.09    -0.30  -0.08   0.09     0.17   0.03   0.02
    13   1    -0.03   0.04   0.06    -0.13  -0.06   0.05    -0.04  -0.01   0.02
    14   1     0.05   0.06  -0.02    -0.13  -0.05   0.01     0.11  -0.01   0.01
    15   1    -0.12  -0.24  -0.04    -0.35  -0.34  -0.14     0.06   0.04   0.04
    16   1     0.07   0.14   0.04     0.09  -0.06  -0.03     0.21   0.46   0.09
    17   1     0.11  -0.03  -0.02     0.23  -0.08  -0.10     0.51  -0.09  -0.11
    18   1    -0.18   0.02   0.03     0.14  -0.06  -0.06    -0.35   0.04   0.09
    19   6    -0.02   0.03  -0.02     0.05  -0.02   0.00     0.05   0.01  -0.01
    20   6    -0.01   0.04  -0.04     0.05  -0.02   0.03     0.05  -0.01  -0.01
    21   1     0.00  -0.05   0.03    -0.01   0.09  -0.18    -0.01   0.06  -0.20
    22   1     0.05  -0.02  -0.02    -0.11   0.03   0.07    -0.09   0.02   0.08
    23   1     0.03   0.03  -0.10    -0.10  -0.06   0.12    -0.10  -0.04   0.02
    24   1     0.19  -0.06  -0.05    -0.14   0.02   0.03     0.03   0.00  -0.01
    25   1    -0.11  -0.00   0.10     0.11  -0.00  -0.11     0.09   0.00  -0.05
    26   1     0.02  -0.08   0.05     0.10   0.04  -0.09     0.07   0.01  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1244.1193              1275.2351              1328.4859
 Red. masses --      1.4790                 1.5543                 2.0395
 Frc consts  --      1.3488                 1.4893                 2.1207
 IR Inten    --      6.5155                 3.5535                 0.3664
 RamAct Fr= 1--      3.1570                10.4885                 5.4233
  Dep-P Fr= 1--      0.5213                 0.2993                 0.5875
  Dep-U Fr= 1--      0.6854                 0.4607                 0.7401
 Alpha2 Fr= 1--      0.0141                 0.1078                 0.0165
 Beta2  Fr= 1--      0.3606                 0.8053                 0.6690
 AlphaG Fr= 1--     -0.0485                -0.1279                 0.0030
 Gamma2 Fr= 1--      0.5292                -5.9444                 1.1269
 Delta2 Fr= 1--      0.7273                -1.5674                 0.4497
 Raman1 Fr= 1--      12.628                 41.954                 21.693
 ROA1   Fr= 1--      74.074               -620.821                122.571
 CID1   Fr= 1--       5.866                -14.798                  5.650
 Raman2 Fr= 1--       4.327                  9.664                  8.028
 ROA2   Fr= 1--       6.882               -130.126                 23.447
 CID2   Fr= 1--       1.590                -13.466                  2.921
 Raman3 Fr= 1--       8.655                 19.327                 16.056
 ROA3   Fr= 1--      74.074               -620.821                122.571
 CID3   Fr= 1--       8.559                -32.122                  7.634
 RC180  Fr= 1--       0.371                 -0.079                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.00     0.02  -0.02  -0.00     0.03  -0.00  -0.05
     2   6    -0.01  -0.01   0.05     0.06   0.02  -0.04     0.02   0.04  -0.03
     3   6    -0.05   0.01  -0.00    -0.03   0.02   0.03    -0.01  -0.01  -0.00
     4   6    -0.02  -0.03   0.05    -0.05  -0.05   0.02     0.01  -0.01  -0.01
     5   6     0.01   0.00  -0.02     0.02   0.00  -0.01     0.00   0.00   0.00
     6   6     0.02  -0.01  -0.00     0.07   0.02   0.04     0.01   0.02  -0.00
     7   6    -0.04   0.03  -0.07    -0.09  -0.01  -0.01     0.01  -0.01   0.00
     8   6     0.13  -0.02  -0.04    -0.13   0.02   0.03    -0.02  -0.09   0.26
     9   1    -0.16  -0.24  -0.01     0.09   0.24  -0.04    -0.47  -0.13  -0.21
    10   1    -0.21   0.23   0.13     0.03  -0.07  -0.14    -0.37   0.32  -0.07
    11   1     0.02   0.00  -0.01     0.11   0.02  -0.05    -0.03  -0.01   0.02
    12   1     0.04  -0.00   0.03     0.05   0.01   0.00    -0.01   0.00  -0.01
    13   1     0.00   0.02   0.01     0.03   0.03  -0.01    -0.01  -0.02  -0.00
    14   1     0.07   0.01  -0.00     0.06   0.02  -0.00    -0.01  -0.01  -0.00
    15   1    -0.26  -0.38  -0.09    -0.26  -0.38  -0.09    -0.02  -0.02  -0.01
    16   1     0.31   0.40   0.11     0.16   0.11   0.05    -0.12  -0.11  -0.03
    17   1     0.27  -0.15  -0.15    -0.33   0.05   0.04     0.10   0.06   0.01
    18   1     0.23   0.02   0.05     0.61  -0.08  -0.10    -0.06   0.00   0.03
    19   6    -0.05   0.01   0.02     0.04  -0.01  -0.01    -0.00   0.02  -0.05
    20   6    -0.04   0.00   0.01     0.04  -0.00  -0.00    -0.01   0.03  -0.08
    21   1     0.00  -0.09   0.17    -0.01   0.08  -0.16    -0.04   0.06  -0.20
    22   1     0.09  -0.05  -0.02    -0.09   0.07   0.02     0.10   0.10  -0.21
    23   1     0.08   0.05  -0.06    -0.08  -0.05   0.02     0.08   0.03  -0.23
    24   1    -0.07   0.01   0.01     0.05  -0.01  -0.01     0.26  -0.03  -0.06
    25   1    -0.08  -0.01   0.05     0.07   0.00  -0.05     0.05   0.05   0.20
    26   1    -0.09   0.01   0.06     0.08  -0.00  -0.05     0.00  -0.17   0.12
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1336.5626              1347.6587              1382.5335
 Red. masses --      1.2482                 1.3658                 1.7038
 Frc consts  --      1.3137                 1.4615                 1.9188
 IR Inten    --      2.3356                 1.8784                 0.5617
 RamAct Fr= 1--      6.3159                 5.2373                 3.1440
  Dep-P Fr= 1--      0.5483                 0.2034                 0.7445
  Dep-U Fr= 1--      0.7083                 0.3381                 0.8535
 Alpha2 Fr= 1--      0.0244                 0.0705                 0.0003
 Beta2  Fr= 1--      0.7456                 0.2951                 0.4472
 AlphaG Fr= 1--     -0.0312                 0.0316                -0.0027
 Gamma2 Fr= 1--     -0.7819                -0.0824                 1.4001
 Delta2 Fr= 1--     -0.0813                 0.3400                 1.0126
 Raman1 Fr= 1--      25.263                 20.949                 12.576
 ROA1   Fr= 1--     -77.667                  2.965                166.813
 CID1   Fr= 1--      -3.074                  0.142                 13.265
 Raman2 Fr= 1--       8.947                  3.541                  5.367
 ROA2   Fr= 1--     -18.116                 -4.698                 25.501
 CID2   Fr= 1--      -2.025                 -1.327                  4.752
 Raman3 Fr= 1--      17.893                  7.083                 10.734
 ROA3   Fr= 1--     -77.667                  2.965                166.813
 CID3   Fr= 1--      -4.341                  0.419                 15.541
 RC180  Fr= 1--       0.417                 -0.324                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.00     0.05   0.03  -0.01    -0.12  -0.07   0.03
     2   6     0.02  -0.04  -0.01    -0.00   0.02   0.04     0.07  -0.05  -0.05
     3   6    -0.05  -0.02   0.03    -0.03  -0.01   0.00     0.08   0.07  -0.00
     4   6    -0.02   0.08   0.02    -0.02  -0.01  -0.01     0.01  -0.11  -0.02
     5   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.02   0.03   0.01
     6   6     0.03   0.04   0.01     0.07   0.08  -0.02     0.02   0.04  -0.01
     7   6     0.04  -0.00  -0.02    -0.10  -0.03   0.04    -0.07   0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01  -0.00
     9   1     0.25   0.22   0.02    -0.11  -0.13  -0.03     0.30   0.37   0.08
    10   1    -0.18   0.26   0.12     0.13  -0.28  -0.13    -0.20   0.48   0.23
    11   1     0.61  -0.06  -0.22     0.02  -0.01   0.01    -0.36   0.10   0.11
    12   1    -0.07  -0.02   0.01    -0.03   0.00  -0.03     0.11   0.03  -0.02
    13   1     0.02   0.07   0.05     0.01  -0.01  -0.00     0.03  -0.05  -0.11
    14   1    -0.01   0.09  -0.03    -0.02   0.03  -0.01     0.09  -0.08   0.05
    15   1    -0.21  -0.26  -0.08    -0.02  -0.11  -0.02     0.06   0.08   0.01
    16   1    -0.16  -0.17  -0.04    -0.39  -0.38  -0.11    -0.11  -0.03  -0.01
    17   1     0.07  -0.03  -0.03     0.68   0.01  -0.06     0.36   0.01  -0.05
    18   1    -0.34   0.03   0.06     0.14  -0.06  -0.06     0.06   0.02   0.06
    19   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.01
    20   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.00
    21   1     0.00   0.00   0.01     0.01  -0.03   0.02     0.01   0.01   0.03
    22   1    -0.00   0.00  -0.00    -0.00  -0.03   0.04    -0.01  -0.01   0.01
    23   1    -0.00  -0.00   0.02    -0.02  -0.00   0.05     0.01   0.01   0.03
    24   1    -0.01   0.01   0.00    -0.02   0.00   0.01    -0.03  -0.00  -0.00
    25   1    -0.02  -0.01   0.01     0.01  -0.00  -0.03    -0.08  -0.01   0.02
    26   1     0.01   0.01  -0.01    -0.02   0.03  -0.01     0.02  -0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1399.1822              1410.8195              1414.1050
 Red. masses --      1.6354                 1.3228                 1.2926
 Frc consts  --      1.8863                 1.5512                 1.5229
 IR Inten    --      0.7477                 6.3080                 1.4291
 RamAct Fr= 1--      8.0749                 0.4009                10.4643
  Dep-P Fr= 1--      0.2729                 0.4125                 0.4099
  Dep-U Fr= 1--      0.4288                 0.5841                 0.5814
 Alpha2 Fr= 1--      0.0897                 0.0028                 0.0748
 Beta2  Fr= 1--      0.5771                 0.0390                 1.0140
 AlphaG Fr= 1--     -0.2207                -0.0098                 0.0751
 Gamma2 Fr= 1--     -1.7413                 0.0413                 0.9801
 Delta2 Fr= 1--      0.0630                 0.0000                 0.4064
 Raman1 Fr= 1--      32.300                  1.604                 41.857
 ROA1   Fr= 1--    -165.153                  3.966                107.094
 CID1   Fr= 1--      -5.113                  2.473                  2.559
 Raman2 Fr= 1--       6.926                  0.468                 12.168
 ROA2   Fr= 1--     -42.296                  0.991                 20.272
 CID2   Fr= 1--      -6.107                  2.117                  1.666
 Raman3 Fr= 1--      13.852                  0.937                 24.337
 ROA3   Fr= 1--    -165.153                  3.966                107.094
 CID3   Fr= 1--     -11.923                  4.234                  4.401
 RC180  Fr= 1--      -0.142                  0.168                  0.163
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.01
     2   6     0.03   0.01  -0.02    -0.00  -0.01   0.01    -0.01   0.01   0.00
     3   6    -0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     4   6     0.03   0.12   0.00     0.00   0.00  -0.00     0.02   0.04  -0.00
     5   6     0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.13  -0.06   0.03
     6   6    -0.05  -0.14  -0.03     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6    -0.10   0.04   0.03    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.02     0.02   0.02  -0.05     0.01  -0.00   0.01
     9   1     0.07   0.12  -0.01     0.04  -0.01   0.04    -0.03  -0.03  -0.01
    10   1    -0.03   0.09   0.01     0.03  -0.00   0.04     0.02  -0.04  -0.03
    11   1     0.37  -0.06  -0.12    -0.01   0.00   0.01     0.04  -0.02  -0.02
    12   1    -0.09  -0.02   0.01     0.06  -0.00  -0.02     0.49  -0.02  -0.16
    13   1    -0.05   0.04   0.12     0.05   0.04  -0.04     0.38   0.32  -0.32
    14   1    -0.11   0.08  -0.05     0.07   0.03   0.02     0.51   0.25   0.12
    15   1     0.36   0.40   0.10    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    16   1     0.11   0.15   0.06    -0.01  -0.00  -0.00    -0.02   0.00   0.01
    17   1     0.30  -0.02  -0.03     0.06   0.00  -0.01    -0.00   0.00   0.00
    18   1     0.52  -0.01  -0.03    -0.02   0.01   0.03     0.02  -0.01  -0.02
    19   6    -0.00   0.00  -0.01    -0.01  -0.03   0.10    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.00    -0.10   0.00   0.05     0.00  -0.00  -0.01
    21   1     0.00  -0.00   0.00    -0.13   0.11  -0.35     0.02  -0.02   0.06
    22   1     0.02  -0.02  -0.00     0.14   0.23  -0.28    -0.01  -0.05   0.04
    23   1     0.02   0.01   0.01     0.09  -0.03  -0.36    -0.00   0.01   0.07
    24   1     0.04  -0.01  -0.01     0.38  -0.08   0.04    -0.02   0.01  -0.00
    25   1     0.02   0.02   0.02     0.34   0.13  -0.19    -0.01  -0.00   0.03
    26   1     0.04  -0.04  -0.00     0.30  -0.10  -0.27    -0.02  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1423.7442              1438.7864              1477.7291
 Red. masses --      1.3657                 2.2210                 1.0573
 Frc consts  --      1.6311                 2.7089                 1.3603
 IR Inten    --      1.5655                 1.9144                 7.6843
 RamAct Fr= 1--      9.6551                40.7052                 9.6943
  Dep-P Fr= 1--      0.1183                 0.2252                 0.4909
  Dep-U Fr= 1--      0.2116                 0.3676                 0.6585
 Alpha2 Fr= 1--      0.1616                 0.5166                 0.0499
 Beta2  Fr= 1--      0.3405                 2.4939                 1.0640
 AlphaG Fr= 1--     -0.0847                -0.3898                -0.1690
 Gamma2 Fr= 1--     -0.6422                -2.5095                -1.1153
 Delta2 Fr= 1--     -0.1387                 0.6291                 0.1399
 Raman1 Fr= 1--      38.620                162.821                 38.777
 ROA1   Fr= 1--     -66.088               -220.776               -102.592
 CID1   Fr= 1--      -1.711                 -1.356                 -2.646
 Raman2 Fr= 1--       4.086                 29.927                 12.768
 ROA2   Fr= 1--     -14.302                -65.260                -27.887
 CID2   Fr= 1--      -3.501                 -2.181                 -2.184
 Raman3 Fr= 1--       8.171                 59.853                 25.536
 ROA3   Fr= 1--     -66.088               -220.776               -102.592
 CID3   Fr= 1--      -8.088                 -3.689                 -4.018
 RC180  Fr= 1--      -0.577                 -0.265                  0.317
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02    -0.13  -0.12  -0.06     0.01   0.01   0.00
     2   6    -0.01   0.05   0.01    -0.08   0.17   0.02     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.00     0.04   0.04   0.01    -0.01  -0.00   0.00
     4   6    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.00   0.01  -0.02
     5   6     0.01   0.01  -0.00     0.00   0.01  -0.01    -0.02   0.00  -0.04
     6   6     0.01   0.01   0.01     0.01   0.03   0.01    -0.03   0.02  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.05  -0.01    -0.01  -0.00  -0.00
     8   6     0.04  -0.02   0.03     0.15  -0.05   0.05    -0.01   0.00  -0.00
     9   1     0.03   0.04  -0.01     0.34   0.17   0.03    -0.02  -0.01  -0.00
    10   1     0.04  -0.04  -0.04     0.34  -0.31  -0.12    -0.02   0.02   0.01
    11   1     0.01   0.02  -0.00     0.09   0.03  -0.04     0.01  -0.00   0.01
    12   1    -0.02   0.00   0.01     0.01  -0.00   0.03     0.21  -0.10   0.57
    13   1    -0.02  -0.02   0.01    -0.02   0.01   0.02     0.14   0.41   0.08
    14   1    -0.03  -0.03  -0.00    -0.02  -0.01  -0.01    -0.13  -0.38   0.01
    15   1    -0.04  -0.05  -0.00    -0.02  -0.14   0.06     0.16  -0.16   0.25
    16   1     0.01  -0.02  -0.01     0.06  -0.09  -0.06     0.23  -0.19  -0.17
    17   1    -0.06  -0.00   0.01    -0.08   0.12   0.04     0.04   0.08   0.01
    18   1     0.01  -0.02  -0.04     0.16  -0.06  -0.02     0.01   0.01   0.09
    19   6    -0.01   0.03  -0.10    -0.06  -0.00   0.03     0.00  -0.00  -0.00
    20   6    -0.11   0.01   0.02     0.00   0.01  -0.02     0.00   0.00   0.00
    21   1     0.12  -0.12   0.35    -0.11   0.03  -0.22     0.01   0.05   0.03
    22   1    -0.06  -0.29   0.27     0.30  -0.05  -0.19    -0.04   0.00   0.03
    23   1    -0.02   0.07   0.38     0.26   0.10  -0.12     0.02   0.00  -0.01
    24   1     0.39  -0.08   0.02    -0.17   0.03  -0.02     0.00  -0.03  -0.01
    25   1     0.36   0.16  -0.07    -0.13  -0.03   0.16     0.01   0.00  -0.03
    26   1     0.30  -0.19  -0.20    -0.13  -0.04   0.17    -0.01   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1483.6237              1485.1644              1490.0952
 Red. masses --      1.0627                 1.0633                 1.0656
 Frc consts  --      1.3782                 1.3818                 1.3941
 IR Inten    --      0.5260                 0.3244                 6.1161
 RamAct Fr= 1--     10.9995                 9.8826                25.2486
  Dep-P Fr= 1--      0.5920                 0.5919                 0.4480
  Dep-U Fr= 1--      0.7437                 0.7436                 0.6188
 Alpha2 Fr= 1--      0.0323                 0.0291                 0.1560
 Beta2  Fr= 1--      1.3634                 1.2248                 2.6039
 AlphaG Fr= 1--      0.0401                -0.0892                -0.0615
 Gamma2 Fr= 1--      1.3889                -3.0090                -2.5141
 Delta2 Fr= 1--      1.0567                 0.7762                -0.8637
 Raman1 Fr= 1--      43.998                 39.530                100.994
 ROA1   Fr= 1--     167.150               -264.023               -268.994
 CID1   Fr= 1--       3.799                 -6.679                 -2.663
 Raman2 Fr= 1--      16.361                 14.698                 31.247
 ROA2   Fr= 1--      24.881                -78.425                -53.430
 CID2   Fr= 1--       1.521                 -5.336                 -1.710
 Raman3 Fr= 1--      32.722                 29.395                 62.495
 ROA3   Fr= 1--     167.150               -264.023               -268.994
 CID3   Fr= 1--       5.108                 -8.982                 -4.304
 RC180  Fr= 1--       0.487                  0.487                  0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.00  -0.01
     4   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
     5   6    -0.00   0.01  -0.02     0.00  -0.01   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03   0.01    -0.04   0.03  -0.01     0.01   0.01   0.00
     7   6     0.01   0.01   0.02    -0.00   0.01   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.01  -0.00   0.01
    10   1     0.02  -0.01  -0.01    -0.02   0.03   0.01     0.00   0.01   0.01
    11   1    -0.00  -0.00   0.00    -0.01   0.00   0.01    -0.11   0.00   0.04
    12   1     0.05  -0.05   0.31    -0.01   0.03  -0.19     0.41  -0.02  -0.12
    13   1     0.08   0.17   0.00    -0.05  -0.09   0.01    -0.17   0.34   0.48
    14   1    -0.04  -0.25   0.02     0.01   0.16  -0.02    -0.39   0.43  -0.18
    15   1    -0.18   0.22  -0.30     0.18  -0.21   0.30    -0.05  -0.00  -0.04
    16   1    -0.30   0.17   0.19     0.30  -0.17  -0.19    -0.05   0.01   0.02
    17   1    -0.04  -0.22  -0.03     0.00  -0.03  -0.01    -0.01  -0.08  -0.01
    18   1    -0.02  -0.02  -0.23    -0.01   0.01  -0.03    -0.03  -0.01  -0.08
    19   6    -0.00   0.02   0.01    -0.00   0.02   0.00     0.01   0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.00  -0.00
    21   1    -0.03  -0.26  -0.13    -0.03  -0.27  -0.12     0.01  -0.04   0.03
    22   1     0.19  -0.02  -0.11     0.19  -0.05  -0.09    -0.04   0.06  -0.02
    23   1    -0.13  -0.03   0.11    -0.13  -0.03   0.14    -0.08  -0.04  -0.03
    24   1     0.05   0.29   0.10     0.11   0.42   0.15    -0.04  -0.03  -0.01
    25   1    -0.08  -0.03   0.20    -0.14  -0.06   0.26     0.05   0.02   0.03
    26   1     0.08   0.08  -0.18     0.11   0.15  -0.29     0.02  -0.06   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1491.4465              1497.5912              1508.8378
 Red. masses --      1.0598                 1.0673                 1.1151
 Frc consts  --      1.3889                 1.4103                 1.4957
 IR Inten    --      4.0990                11.5976                 3.2981
 RamAct Fr= 1--      0.9938                 1.4496                 4.2528
  Dep-P Fr= 1--      0.6853                 0.5079                 0.6588
  Dep-U Fr= 1--      0.8133                 0.6737                 0.7943
 Alpha2 Fr= 1--      0.0011                 0.0069                 0.0069
 Beta2  Fr= 1--      0.1347                 0.1628                 0.5630
 AlphaG Fr= 1--      0.0018                -0.0077                -0.0040
 Gamma2 Fr= 1--      0.7190                 0.2051                -0.0164
 Delta2 Fr= 1--      0.3361                 0.3674                -0.3878
 Raman1 Fr= 1--       3.975                  5.799                 17.011
 ROA1   Fr= 1--      79.780                 31.443                -13.984
 CID1   Fr= 1--      20.069                  5.423                 -0.822
 Raman2 Fr= 1--       1.616                  1.953                  6.756
 ROA2   Fr= 1--      14.568                  1.983                  2.709
 CID2   Fr= 1--       9.012                  1.015                  0.401
 Raman3 Fr= 1--       3.233                  3.906                 13.512
 ROA3   Fr= 1--      79.780                 31.443                -13.984
 CID3   Fr= 1--      24.678                  8.050                 -1.035
 RC180  Fr= 1--       0.627                  0.347                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.04   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01   0.00
     7   6     0.00  -0.01  -0.02    -0.00  -0.04  -0.04     0.00   0.01   0.02
     8   6    -0.03  -0.00   0.01     0.00  -0.02  -0.02     0.05  -0.04   0.04
     9   1    -0.05  -0.01  -0.01     0.00  -0.02   0.01     0.02   0.01  -0.01
    10   1    -0.04   0.03   0.00     0.03  -0.03  -0.00     0.03  -0.02  -0.02
    11   1    -0.03  -0.00   0.01    -0.00   0.00  -0.00     0.02   0.00  -0.01
    12   1     0.07  -0.01  -0.01     0.02  -0.01   0.02    -0.00   0.00  -0.00
    13   1    -0.03   0.07   0.09    -0.01   0.03   0.03     0.00  -0.00  -0.01
    14   1    -0.07   0.07  -0.03    -0.03   0.01  -0.01     0.01  -0.00   0.00
    15   1    -0.05   0.05  -0.08    -0.07   0.08  -0.12     0.01  -0.01   0.02
    16   1    -0.07   0.05   0.05    -0.11   0.08   0.07     0.01  -0.02  -0.01
    17   1     0.00   0.20   0.03     0.03   0.44   0.07    -0.01  -0.21  -0.03
    18   1     0.01   0.02   0.21     0.06   0.02   0.44    -0.00  -0.02  -0.23
    19   6    -0.03   0.00  -0.01     0.01  -0.02  -0.00     0.02  -0.02  -0.01
    20   6     0.02  -0.01   0.03    -0.01  -0.02  -0.02    -0.00  -0.02   0.02
    21   1    -0.08   0.13  -0.20     0.05   0.24   0.16     0.09   0.18   0.28
    22   1     0.25  -0.32   0.08    -0.24   0.07   0.11    -0.36   0.24   0.04
    23   1     0.35   0.17   0.21     0.07  -0.00  -0.16    -0.08  -0.08  -0.30
    24   1     0.25  -0.05   0.02    -0.02   0.39   0.12     0.31   0.07   0.07
    25   1    -0.24  -0.11  -0.33    -0.02  -0.00   0.36    -0.30  -0.12  -0.22
    26   1    -0.14   0.36  -0.18     0.16  -0.03  -0.18    -0.12   0.38  -0.24
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1514.2534              1723.9781              2996.1003
 Red. masses --      1.0706                 6.8206                 1.0683
 Frc consts  --      1.4464                11.9437                 5.6501
 IR Inten    --      1.7239                 1.8564                28.2786
 RamAct Fr= 1--      3.8913               122.5427               125.0045
  Dep-P Fr= 1--      0.4120                 0.1890                 0.2475
  Dep-U Fr= 1--      0.5836                 0.3179                 0.3967
 Alpha2 Fr= 1--      0.0276                 1.7133                 1.4921
 Beta2  Fr= 1--      0.3785                 6.4918                 8.2657
 AlphaG Fr= 1--     -0.0733                -0.1838                -2.7811
 Gamma2 Fr= 1--      2.2517                -3.5277               -20.4000
 Delta2 Fr= 1--      0.1891                 2.1261                 5.7395
 Raman1 Fr= 1--      15.565                490.171                500.018
 ROA1   Fr= 1--     222.215               -270.627              -1774.740
 CID1   Fr= 1--      14.276                 -0.552                 -3.549
 Raman2 Fr= 1--       4.542                 77.901                 99.188
 ROA2   Fr= 1--      52.529               -101.674               -535.516
 CID2   Fr= 1--      11.565                 -1.305                 -5.399
 Raman3 Fr= 1--       9.084                155.803                198.376
 ROA3   Fr= 1--     222.215               -270.627              -1774.740
 CID3   Fr= 1--      24.463                 -1.737                 -8.946
 RC180  Fr= 1--       0.167                 -0.364                 -0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01     0.05  -0.01  -0.03    -0.00  -0.00  -0.00
     2   6     0.01  -0.01   0.00    -0.02   0.01   0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.42   0.20   0.16     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.43  -0.27  -0.16    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.05   0.01   0.02     0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00    -0.04   0.02   0.02    -0.03   0.04  -0.05
     7   6     0.00   0.03   0.03     0.02  -0.01   0.00     0.00  -0.01   0.01
     8   6    -0.03  -0.01  -0.02     0.02   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01  -0.00   0.00     0.17   0.07  -0.01    -0.00  -0.00   0.00
    10   1    -0.02   0.01   0.00    -0.00  -0.06  -0.04    -0.00   0.00   0.00
    11   1    -0.01   0.00   0.00     0.36   0.19  -0.09    -0.00  -0.01  -0.00
    12   1     0.01   0.00  -0.01     0.20   0.01  -0.06     0.00  -0.06  -0.01
    13   1    -0.00  -0.00   0.00    -0.16  -0.02   0.16    -0.07   0.04  -0.06
    14   1    -0.00   0.01  -0.00    -0.21   0.03  -0.04    -0.02   0.02   0.09
    15   1     0.02  -0.03   0.04     0.04   0.30  -0.05     0.16  -0.07  -0.19
    16   1     0.03  -0.03  -0.03    -0.04   0.09   0.06     0.23  -0.39   0.83
    17   1    -0.02  -0.37  -0.06    -0.02  -0.01   0.01    -0.01   0.02  -0.08
    18   1    -0.05  -0.02  -0.35    -0.06  -0.01  -0.02     0.00   0.08  -0.01
    19   6    -0.02  -0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.04   0.50  -0.06    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    22   1    -0.04  -0.20   0.20     0.02   0.01  -0.02     0.00   0.00   0.00
    23   1     0.47   0.17  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    24   1    -0.10   0.18   0.04    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1     0.06   0.02   0.25     0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.12  -0.11  -0.03    -0.01  -0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6737              3014.3738              3022.6815
 Red. masses --      1.0392                 1.0359                 1.0396
 Frc consts  --      5.5426                 5.5457                 5.5962
 IR Inten    --     50.6205                37.8153                49.3614
 RamAct Fr= 1--    326.9384               147.4904               304.5994
  Dep-P Fr= 1--      0.0561                 0.0593                 0.0353
  Dep-U Fr= 1--      0.1063                 0.1119                 0.0682
 Alpha2 Fr= 1--      6.3641                 2.8495                 6.2304
 Beta2  Fr= 1--      5.7936                 2.7516                 3.4616
 AlphaG Fr= 1--     -1.0808                -0.1538                -0.0122
 Gamma2 Fr= 1--    -10.0801                -0.7625                 3.5600
 Delta2 Fr= 1--      0.9723                -0.1333                 0.2254
 Raman1 Fr= 1--    1307.754                589.962               1218.398
 ROA1   Fr= 1--    -936.574                -77.466                348.969
 CID1   Fr= 1--      -0.716                 -0.131                  0.286
 Raman2 Fr= 1--      69.523                 33.019                 41.539
 ROA2   Fr= 1--    -249.701                -17.233                 83.635
 CID2   Fr= 1--      -3.592                 -0.522                  2.013
 Raman3 Fr= 1--     139.045                 66.039                 83.079
 ROA3   Fr= 1--    -936.574                -77.466                348.969
 CID3   Fr= 1--      -6.736                 -1.173                  4.200
 RC180  Fr= 1--      -0.787                 -0.776                 -0.864
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   1     0.01  -0.36  -0.06    -0.00   0.01   0.00    -0.00   0.01   0.00
    13   1    -0.45   0.27  -0.37     0.01  -0.01   0.01     0.01  -0.01   0.01
    14   1    -0.14   0.11   0.62     0.00  -0.00  -0.02     0.00  -0.00  -0.02
    15   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    16   1    -0.04   0.07  -0.13     0.00  -0.01   0.01     0.00  -0.00   0.01
    17   1     0.00  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.02   0.07
    18   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.05  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.02  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.05  -0.01  -0.00     0.01  -0.00  -0.00
    21   1     0.01   0.00  -0.00    -0.09  -0.00   0.02     0.31   0.01  -0.08
    22   1    -0.01  -0.01  -0.01     0.10   0.12   0.12    -0.33  -0.42  -0.43
    23   1    -0.00   0.01  -0.00     0.07  -0.17   0.01    -0.21   0.54  -0.05
    24   1    -0.00  -0.01   0.02    -0.02  -0.14   0.41    -0.01  -0.04   0.13
    25   1    -0.01   0.02  -0.00    -0.18   0.57  -0.02    -0.05   0.16  -0.01
    26   1    -0.02  -0.01  -0.01    -0.37  -0.35  -0.35    -0.11  -0.10  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.9566              3046.2586              3048.0533
 Red. masses --      1.0751                 1.0973                 1.0766
 Frc consts  --      5.8345                 5.9993                 5.8931
 IR Inten    --     22.1002                16.3300                69.9743
 RamAct Fr= 1--     74.6388               106.5664               216.6878
  Dep-P Fr= 1--      0.6016                 0.5595                 0.1244
  Dep-U Fr= 1--      0.7513                 0.7175                 0.2212
 Alpha2 Fr= 1--      0.2049                 0.3858                 3.5724
 Beta2  Fr= 1--      9.3457                12.7436                 7.9901
 AlphaG Fr= 1--     -0.3787                -1.0089                 0.4249
 Gamma2 Fr= 1--     18.0092                20.0570               -50.2270
 Delta2 Fr= 1--     10.4999                10.5760               -28.4219
 Raman1 Fr= 1--     298.555                426.265                866.751
 ROA1   Fr= 1--    2064.881               2263.904              -5731.290
 CID1   Fr= 1--       6.916                  5.311                 -6.612
 Raman2 Fr= 1--     112.148                152.923                 95.881
 ROA2   Fr= 1--     348.222                396.759               -978.073
 CID2   Fr= 1--       3.105                  2.595                -10.201
 Raman3 Fr= 1--     224.297                305.845                191.762
 ROA3   Fr= 1--    2064.881               2263.904              -5731.290
 CID3   Fr= 1--       9.206                  7.402                -29.888
 RC180  Fr= 1--       0.503                  0.435                 -0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.03   0.01  -0.08    -0.01   0.01  -0.02
     6   6    -0.03   0.01   0.05    -0.01   0.00   0.01     0.03  -0.01  -0.05
     7   6    -0.01  -0.03  -0.04     0.00   0.01   0.01    -0.01  -0.04  -0.03
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.01  -0.01   0.01     0.01   0.01  -0.01    -0.02  -0.03   0.03
    11   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1     0.00   0.04   0.00    -0.01   0.01  -0.02    -0.00  -0.03  -0.01
    13   1     0.03  -0.02   0.03     0.50  -0.29   0.37     0.11  -0.07   0.08
    14   1     0.00   0.00  -0.01    -0.17   0.12   0.64    -0.05   0.03   0.19
    15   1     0.45  -0.23  -0.47     0.10  -0.05  -0.10    -0.42   0.21   0.43
    16   1    -0.05   0.07  -0.13    -0.01   0.01  -0.03     0.04  -0.07   0.12
    17   1     0.07  -0.12   0.53    -0.02   0.03  -0.12     0.05  -0.09   0.38
    18   1     0.03   0.41  -0.06    -0.01  -0.16   0.02     0.05   0.59  -0.08
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.03   0.04   0.04    -0.01  -0.01  -0.01     0.02   0.03   0.03
    23   1     0.02  -0.05   0.01    -0.00   0.01  -0.00     0.01  -0.02   0.00
    24   1     0.00   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.01  -0.02
    25   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3065.2262              3068.9233              3070.0313
 Red. masses --      1.1013                 1.1008                 1.1031
 Frc consts  --      6.0965                 6.1082                 6.1259
 IR Inten    --      7.4328                35.1202                38.2896
 RamAct Fr= 1--     36.0401               167.3100                41.4830
  Dep-P Fr= 1--      0.7374                 0.7393                 0.7495
  Dep-U Fr= 1--      0.8489                 0.8501                 0.8568
 Alpha2 Fr= 1--      0.0077                 0.0306                 0.0004
 Beta2  Fr= 1--      5.0989                23.7047                 5.9237
 AlphaG Fr= 1--     -0.0119                -0.2920                 0.0035
 Gamma2 Fr= 1--    -15.1922               -17.3659                39.2573
 Delta2 Fr= 1--     -6.7659               -13.4587                24.9460
 Raman1 Fr= 1--     144.160                669.240                165.932
 ROA1   Fr= 1--   -1674.958              -2097.804               4566.976
 CID1   Fr= 1--     -11.619                 -3.135                 27.523
 Raman2 Fr= 1--      61.186                284.457                 71.085
 ROA2   Fr= 1--    -310.485               -309.111                742.608
 CID2   Fr= 1--      -5.074                 -1.087                 10.447
 Raman3 Fr= 1--     122.373                568.913                142.170
 ROA3   Fr= 1--   -1674.958              -2097.804               4566.976
 CID3   Fr= 1--     -13.687                 -3.687                 32.123
 RC180  Fr= 1--       0.698                  0.700                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.02
     7   6    -0.00   0.00  -0.00    -0.00   0.02  -0.02    -0.00   0.06  -0.06
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.05   0.07  -0.07
    11   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    12   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00   0.00   0.01    -0.03   0.02   0.03    -0.08   0.04   0.08
    16   1     0.00  -0.00   0.01     0.02  -0.02   0.05     0.04  -0.06   0.12
    17   1     0.00  -0.01   0.03     0.03  -0.05   0.25     0.09  -0.12   0.64
    18   1    -0.00  -0.02   0.00    -0.02  -0.24   0.03    -0.05  -0.60   0.06
    19   6     0.00   0.04   0.01    -0.01  -0.07  -0.02    -0.00   0.03   0.01
    20   6    -0.01  -0.08  -0.03    -0.01  -0.03  -0.01     0.00   0.02   0.01
    21   1    -0.01   0.01   0.01     0.04  -0.02  -0.02     0.04   0.01  -0.01
    22   1    -0.14  -0.17  -0.18     0.28   0.33   0.35    -0.09  -0.10  -0.11
    23   1     0.13  -0.31   0.03    -0.24   0.57  -0.07     0.10  -0.24   0.03
    24   1    -0.00  -0.02   0.01    -0.00  -0.02   0.03     0.00   0.01  -0.02
    25   1    -0.21   0.60  -0.03    -0.09   0.26  -0.01     0.05  -0.13   0.01
    26   1     0.39   0.34   0.36     0.18   0.15   0.16    -0.08  -0.07  -0.08
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.3739              3099.0003              3112.3083
 Red. masses --      1.1003                 1.0988                 1.0862
 Frc consts  --      6.1791                 6.2174                 6.1991
 IR Inten    --     27.4179                22.9595                15.2396
 RamAct Fr= 1--     54.8136                61.3924               115.1387
  Dep-P Fr= 1--      0.7313                 0.7170                 0.4548
  Dep-U Fr= 1--      0.8448                 0.8352                 0.6252
 Alpha2 Fr= 1--      0.0176                 0.0349                 0.6923
 Beta2  Fr= 1--      7.7176                 8.5457                11.9978
 AlphaG Fr= 1--     -0.0591                 0.0718                -0.4436
 Gamma2 Fr= 1--     -6.4430                 2.7932                 7.1945
 Delta2 Fr= 1--     -2.7408                 2.6880               -19.2270
 Raman1 Fr= 1--     219.254                245.569                460.555
 ROA1   Fr= 1--    -706.230                354.162                 75.413
 CID1   Fr= 1--      -3.221                  1.442                  0.164
 Raman2 Fr= 1--      92.611                102.548                143.974
 ROA2   Fr= 1--    -132.705                 45.532                326.485
 CID2   Fr= 1--      -1.433                  0.444                  2.268
 Raman3 Fr= 1--     185.222                205.096                287.947
 ROA3   Fr= 1--    -706.230                354.162                 75.413
 CID3   Fr= 1--      -3.813                  1.727                  0.262
 RC180  Fr= 1--       0.690                  0.670                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.07
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.02   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1     0.03  -0.02  -0.08    -0.01   0.01   0.02    -0.32   0.22   0.86
    10   1     0.02   0.03  -0.03     0.00   0.00  -0.00     0.09   0.10  -0.12
    11   1     0.00   0.02   0.00    -0.01  -0.08  -0.01    -0.02  -0.24  -0.02
    12   1     0.00   0.00  -0.00     0.01   0.91   0.15    -0.00  -0.04  -0.01
    13   1     0.00  -0.00   0.00    -0.18   0.09  -0.15     0.01  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.06   0.03   0.25     0.00  -0.00  -0.01
    15   1    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    17   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    18   1     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.03  -0.00
    19   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.02   0.04  -0.08    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1     0.01  -0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.06  -0.28   0.84    -0.00  -0.00   0.00    -0.01  -0.02   0.07
    25   1     0.10  -0.32  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.00
    26   1     0.18   0.18   0.15     0.00   0.00   0.00     0.01   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3118.3071              3130.0821              3139.7881
 Red. masses --      1.0956                 1.0887                 1.0892
 Frc consts  --      6.2768                 6.2846                 6.3264
 IR Inten    --     17.1619                38.8053                28.9496
 RamAct Fr= 1--     36.6591               132.6899               171.5810
  Dep-P Fr= 1--      0.5426                 0.1860                 0.1248
  Dep-U Fr= 1--      0.7035                 0.3136                 0.2219
 Alpha2 Fr= 1--      0.1460                 1.8697                 2.8259
 Beta2  Fr= 1--      4.2982                 6.9360                 6.3452
 AlphaG Fr= 1--      0.0810                 0.7989                 0.5652
 Gamma2 Fr= 1--      0.5696                15.3618                -0.9101
 Delta2 Fr= 1--      0.1418                14.2862                -1.6396
 Raman1 Fr= 1--     146.636                530.760                686.324
 ROA1   Fr= 1--      59.220               1931.890               -139.841
 CID1   Fr= 1--       0.404                  3.640                 -0.204
 Raman2 Fr= 1--      51.579                 83.232                 76.142
 ROA2   Fr= 1--      12.536                254.393                 -8.727
 CID2   Fr= 1--       0.243                  3.056                 -0.115
 Raman3 Fr= 1--     103.158                166.464                152.284
 ROA3   Fr= 1--      59.220               1931.890               -139.841
 CID3   Fr= 1--       0.574                 11.605                 -0.918
 RC180  Fr= 1--       0.407                 -0.373                 -0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.02
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.04   0.05  -0.05
     3   6    -0.00   0.00  -0.00    -0.00  -0.08  -0.01    -0.00  -0.01  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.08   0.05   0.20    -0.07   0.05   0.19
    10   1    -0.02  -0.02   0.03     0.07   0.09  -0.10    -0.47  -0.57   0.61
    11   1    -0.00  -0.01  -0.00     0.10   0.95   0.09     0.01   0.11   0.01
    12   1     0.00   0.00   0.00     0.00   0.07   0.01     0.00   0.01   0.00
    13   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    17   1    -0.01   0.01  -0.07    -0.00   0.00  -0.01     0.01  -0.01   0.06
    18   1     0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.11   0.01
    19   6    -0.09   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   1     0.91   0.02  -0.25     0.01  -0.00  -0.00    -0.03  -0.00   0.01
    22   1     0.09   0.14   0.14     0.00   0.00   0.00    -0.00  -0.01  -0.01
    23   1     0.07  -0.21   0.02    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    25   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   708.744041950.835902141.63006
           X            0.99999  -0.00154  -0.00488
           Y            0.00145   0.99984  -0.01775
           Z            0.00490   0.01774   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12221     0.04440     0.04044
 Rotational constants (GHZ):           2.54639     0.92511     0.84270
 Zero-point vibrational energy     616701.4 (Joules/Mol)
                                  147.39517 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.29   167.09   274.70   279.18   299.14
          (Kelvin)            340.27   406.46   448.08   488.08   507.65
                              591.38   639.48   694.69   752.03   759.91
                             1014.39  1060.47  1099.55  1134.57  1214.72
                             1269.46  1322.81  1399.16  1399.94  1407.67
                             1424.67  1450.59  1493.04  1501.94  1549.14
                             1567.15  1606.76  1667.32  1686.35  1703.64
                             1743.59  1790.01  1834.78  1911.39  1923.02
                             1938.98  1989.16  2013.11  2029.85  2034.58
                             2048.45  2070.09  2126.12  2134.60  2136.82
                             2143.91  2145.86  2154.70  2170.88  2178.67
                             2480.42  4310.72  4328.81  4337.01  4348.96
                             4366.63  4382.89  4385.47  4410.18  4415.50
                             4417.09  4442.04  4458.77  4477.92  4486.55
                             4503.49  4517.45
 
 Zero-point correction=                           0.234889 (Hartree/Particle)
 Thermal correction to Energy=                    0.245272
 Thermal correction to Enthalpy=                  0.246216
 Thermal correction to Gibbs Free Energy=         0.200187
 Sum of electronic and zero-point Energies=           -390.619872
 Sum of electronic and thermal Energies=              -390.609489
 Sum of electronic and thermal Enthalpies=            -390.608545
 Sum of electronic and thermal Free Energies=         -390.654574
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.911             41.085             96.878
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.472
 Vibrational            152.133             35.124             26.768
 Vibration     1          0.602              1.954              3.589
 Vibration     2          0.608              1.936              3.164
 Vibration     3          0.634              1.852              2.219
 Vibration     4          0.635              1.848              2.189
 Vibration     5          0.641              1.829              2.062
 Vibration     6          0.655              1.785              1.829
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.700              1.652              1.355
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.729              1.569              1.153
 Vibration    11          0.775              1.446              0.923
 Vibration    12          0.804              1.373              0.813
 Vibration    13          0.839              1.288              0.702
 Vibration    14          0.878              1.200              0.604
 Vibration    15          0.883              1.188              0.591
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.832967D-92        -92.079372       -212.020590
 Total V=0       0.916308D+16         15.962041         36.753959
 Vib (Bot)       0.216617-105       -105.664307       -243.301058
 Vib (Bot)    1  0.220149D+01          0.342718          0.789136
 Vib (Bot)    2  0.176121D+01          0.245810          0.565999
 Vib (Bot)    3  0.104792D+01          0.020329          0.046809
 Vib (Bot)    4  0.102991D+01          0.012801          0.029475
 Vib (Bot)    5  0.956072D+00         -0.019509         -0.044922
 Vib (Bot)    6  0.830400D+00         -0.080713         -0.185847
 Vib (Bot)    7  0.679664D+00         -0.167706         -0.386157
 Vib (Bot)    8  0.606670D+00         -0.217047         -0.499770
 Vib (Bot)    9  0.547627D+00         -0.261515         -0.602160
 Vib (Bot)   10  0.521937D+00         -0.282382         -0.650209
 Vib (Bot)   11  0.430103D+00         -0.366428         -0.843731
 Vib (Bot)   12  0.387560D+00         -0.411661         -0.947884
 Vib (Bot)   13  0.345544D+00         -0.461497         -1.062636
 Vib (Bot)   14  0.308051D+00         -0.511378         -1.177491
 Vib (Bot)   15  0.303317D+00         -0.518104         -1.192978
 Vib (V=0)       0.238291D+03          2.377107          5.473491
 Vib (V=0)    1  0.275756D+01          0.440525          1.014346
 Vib (V=0)    2  0.233081D+01          0.367506          0.846214
 Vib (V=0)    3  0.166109D+01          0.220394          0.507477
 Vib (V=0)    4  0.164487D+01          0.216131          0.497660
 Vib (V=0)    5  0.157892D+01          0.198361          0.456743
 Vib (V=0)    6  0.146931D+01          0.167114          0.384794
 Vib (V=0)    7  0.134377D+01          0.128324          0.295477
 Vib (V=0)    8  0.128616D+01          0.109295          0.251662
 Vib (V=0)    9  0.124155D+01          0.093964          0.216360
 Vib (V=0)   10  0.122278D+01          0.087350          0.201131
 Vib (V=0)   11  0.115954D+01          0.064284          0.148020
 Vib (V=0)   12  0.113262D+01          0.054083          0.124530
 Vib (V=0)   13  0.110778D+01          0.044455          0.102361
 Vib (V=0)   14  0.108728D+01          0.036341          0.083677
 Vib (V=0)   15  0.108481D+01          0.035353          0.081403
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.615989D+06          5.789573         13.330984
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009419    0.000042392    0.000016614
      2        6          -0.000008271   -0.000045218    0.000011817
      3        6          -0.000008151   -0.000023645   -0.000003769
      4        6           0.000023259   -0.000039236   -0.000015306
      5        6           0.000001215    0.000004473   -0.000000488
      6        6          -0.000008302    0.000028118    0.000015205
      7        6           0.000010443   -0.000015847    0.000011267
      8        6           0.000000566    0.000047186   -0.000035115
      9        1          -0.000006100   -0.000000759    0.000002017
     10        1          -0.000000278   -0.000006161    0.000004115
     11        1          -0.000002635   -0.000000318   -0.000001982
     12        1          -0.000002550   -0.000000918   -0.000000715
     13        1          -0.000000613   -0.000000403   -0.000001300
     14        1          -0.000001460   -0.000000924   -0.000001510
     15        1           0.000000612    0.000000928   -0.000000967
     16        1          -0.000004877    0.000003173    0.000002446
     17        1          -0.000000548    0.000018789   -0.000028775
     18        1          -0.000000305   -0.000000203    0.000000329
     19        6           0.000003365   -0.000002149    0.000000964
     20        6           0.000001621    0.000000333   -0.000004526
     21        1          -0.000006152   -0.000004528    0.000026932
     22        1           0.000000927    0.000001320   -0.000001423
     23        1          -0.000002689   -0.000000649   -0.000000877
     24        1           0.000004960   -0.000009572    0.000001830
     25        1          -0.000002957    0.000003185    0.000002444
     26        1          -0.000000500    0.000000635    0.000000775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047186 RMS     0.000013755
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149247D+03 -0.502022D+01 -0.287034D+01
      2  -0.502022D+01  0.114528D+03  0.129429D+01
      3  -0.287034D+01  0.129429D+01  0.103034D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.505663D+01  0.876949D+00  0.210030D+01
      2   0.267280D+02 -0.539858D+01  0.943960D+01
      3  -0.191075D+02  0.100844D+02  0.824164D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.406396D+02 -0.127279D+02  0.851387D+01
      2   0.463313D+01  0.106354D+02 -0.187142D+02
      3   0.360065D+02  0.209251D+01  0.102003D+02
      4  -0.362717D+02 -0.219414D+02 -0.892530D+01
      5   0.180237D+02 -0.116261D+02  0.328412D+02
      6   0.377893D+01 -0.169025D+01 -0.875768D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.233745D+02 -0.662122D+00 -0.107782D+01 -0.295428D+01 -0.162113D+01
      2  -0.662122D+00  0.205956D+00 -0.152243D+00 -0.162113D+01 -0.580169D+01
      3  -0.107782D+01 -0.152243D+00 -0.409674D+01  0.510205D+00 -0.107830D+01
                 6             7             8             9            10 
      1   0.510205D+00 -0.513904D+01 -0.216949D+01 -0.542897D+01 -0.316020D+01
      2  -0.107830D+01 -0.216949D+01  0.488108D+00  0.145400D+01  0.227334D+01
      3   0.732956D+00 -0.542897D+01  0.145400D+01  0.301349D+01 -0.567476D-01
                11            12            13            14            15 
      1   0.227334D+01 -0.567476D-01 -0.308882D+00 -0.224613D+01  0.666113D+00
      2  -0.123211D+01  0.270772D+01 -0.224613D+01  0.535478D+01  0.148051D+01
      3   0.270772D+01 -0.198426D+01  0.666113D+00  0.148051D+01  0.462523D+00
                16            17            18            19            20 
      1  -0.999298D+00  0.418486D+01 -0.113776D+01  0.271623D+02 -0.383670D+01
      2   0.418486D+01  0.229504D+01  0.807896D-01 -0.383670D+01  0.471284D+01
      3  -0.113776D+01  0.807896D-01  0.148578D+01 -0.228615D+01 -0.249435D+00
                21            22            23            24            25 
      1  -0.228615D+01 -0.610068D+01  0.456937D+01  0.750280D+00 -0.653486D+01
      2  -0.249435D+00  0.456937D+01  0.392012D+01  0.286676D+00 -0.152465D+00
      3   0.219395D+01  0.750280D+00  0.286676D+00 -0.247678D+01  0.390624D+01
                26            27            28            29            30 
      1  -0.152465D+00  0.390624D+01 -0.232834D+02  0.451922D+01  0.280894D+01
      2  -0.578332D+00 -0.297112D+01  0.451922D+01 -0.384426D+01 -0.743078D+00
      3  -0.297112D+01 -0.414504D+01  0.280894D+01 -0.743078D+00 -0.351614D+01
                31            32            33            34            35 
      1   0.984380D+01 -0.631415D+01 -0.584401D+00  0.745562D+01 -0.125868D+01
      2  -0.631415D+01  0.151361D+01  0.824809D-01 -0.125868D+01  0.977030D+00
      3  -0.584401D+00  0.824809D-01  0.224320D+01 -0.461198D+01  0.858883D+00
                36            37            38            39            40 
      1  -0.461198D+01  0.128337D+02 -0.286606D+01 -0.118404D+00 -0.313815D+01
      2   0.858883D+00 -0.286606D+01 -0.498192D-01 -0.484988D+00  0.146795D+01
      3   0.240529D+01 -0.118404D+00 -0.484988D+00  0.282404D+01 -0.518049D+00
                41            42            43            44            45 
      1   0.146795D+01 -0.518049D+00 -0.474665D+00 -0.206906D+00  0.634564D+01
      2   0.645751D+01  0.135266D+01 -0.206906D+00  0.160476D+01 -0.127048D+01
      3   0.135266D+01 -0.148287D+01  0.634564D+01 -0.127048D+01 -0.495531D+01
                46            47            48            49            50 
      1  -0.473906D+00 -0.330738D+01 -0.188718D+01 -0.518277D+01  0.497990D+01
      2  -0.330738D+01  0.197191D+01  0.110495D+00  0.497990D+01 -0.140610D+01
      3  -0.188718D+01  0.110495D+00  0.265081D+01 -0.285899D+00  0.754500D+00
                51            52            53            54            55 
      1  -0.285899D+00 -0.209217D+01 -0.775128D+00  0.465239D+01  0.209734D+01
      2   0.754500D+00 -0.775128D+00  0.243335D+01 -0.352483D+01  0.123833D+01
      3  -0.244973D+01  0.465239D+01 -0.352483D+01  0.212921D+01  0.946078D+00
                56            57            58            59            60 
      1   0.123833D+01  0.946078D+00  0.166189D+01 -0.816431D+00 -0.149589D+00
      2  -0.235277D+00  0.166575D+00 -0.816431D+00 -0.763722D+01 -0.158076D+00
      3   0.166575D+00 -0.928628D+00 -0.149589D+00 -0.158076D+00  0.121873D+01
                61            62            63            64            65 
      1   0.134621D+01  0.348185D+00 -0.105782D+01  0.143479D+02 -0.127310D+01
      2   0.348185D+00  0.362732D+00  0.402820D+00 -0.127310D+01  0.207799D+01
      3  -0.105782D+01  0.402820D+00 -0.532921D+01  0.413791D+01 -0.641290D+00
                66            67            68            69            70 
      1   0.413791D+01  0.201225D+01  0.580384D+01  0.637560D+00  0.122625D+02
      2  -0.641290D+00  0.580384D+01 -0.404905D+01  0.107296D+01 -0.181716D+00
      3   0.306944D+01  0.637560D+00  0.107296D+01  0.766735D+00  0.445727D+01
                71            72            73            74            75 
      1  -0.181716D+00  0.445727D+01  0.436729D+01 -0.104725D+01 -0.189817D+01
      2   0.523281D+00  0.935349D+00 -0.104725D+01  0.396045D+00  0.497863D+00
      3   0.935349D+00 -0.996371D+00 -0.189817D+01  0.497863D+00  0.248543D+01
                76            77            78            79            80 
      1  -0.301361D+01  0.283085D+00  0.308722D+00 -0.251105D+01  0.601905D+00
      2   0.283085D+00 -0.736985D+00 -0.140817D+01  0.601905D+00 -0.188817D+01
      3   0.308722D+00 -0.140817D+01 -0.225998D+01  0.305350D+01 -0.257476D+01
                81            82            83            84            85 
      1   0.305350D+01  0.297253D+01  0.145518D+01 -0.124671D+01  0.119613D+01
      2  -0.257476D+01  0.145518D+01  0.186154D+01 -0.149559D+01  0.144471D+01
      3  -0.820197D+01 -0.124671D+01 -0.149559D+01  0.186397D+01 -0.130477D+01
                86            87            88            89            90 
      1   0.144471D+01 -0.130477D+01 -0.203468D+01 -0.175090D+01  0.149132D+01
      2   0.419800D+01 -0.230078D+01 -0.175090D+01 -0.268031D+01  0.208201D+01
      3  -0.230078D+01  0.208207D+01  0.149132D+01  0.208201D+01 -0.282355D+01
                91            92            93            94            95 
      1   0.188490D+00 -0.146296D+01 -0.613133D+00 -0.187711D+01 -0.133130D+01
      2  -0.146296D+01 -0.104939D+01  0.127876D+00 -0.133130D+01 -0.103064D+02
      3  -0.613133D+00  0.127876D+00  0.214295D+00 -0.466545D-01 -0.172701D+01
                96            97            98            99           100 
      1  -0.466545D-01 -0.212303D+01  0.260799D+00 -0.599208D+00 -0.545528D+00
      2  -0.172701D+01  0.260799D+00 -0.806311D+00 -0.503812D+00 -0.612735D+00
      3  -0.125105D+01 -0.599208D+00 -0.503812D+00 -0.109622D+00 -0.348976D+00
               101           102           103           104           105 
      1  -0.612735D+00 -0.348976D+00 -0.296870D+01 -0.325033D+01 -0.607239D-01
      2  -0.354307D+00 -0.471878D-01 -0.325033D+01 -0.835476D+01 -0.476175D+00
      3  -0.471878D-01 -0.232201D+00 -0.607239D-01 -0.476175D+00 -0.116274D+01
               106           107           108           109           110 
      1  -0.910114D+00 -0.436417D+00 -0.782400D+00 -0.112885D+02  0.127115D+01
      2  -0.436417D+00 -0.105160D+01 -0.875317D+00  0.127115D+01 -0.118093D+01
      3  -0.782400D+00 -0.875317D+00 -0.502038D-01 -0.211163D+01  0.605439D+00
               111           112           113           114           115 
      1  -0.211163D+01  0.515240D+01 -0.152573D+01  0.654287D+00 -0.522480D+01
      2   0.605439D+00 -0.152573D+01  0.775259D+00 -0.848321D+00  0.590778D+00
      3  -0.181502D+01  0.654287D+00 -0.848321D+00  0.102640D+01 -0.318594D+01
               116           117           118           119           120 
      1   0.590778D+00 -0.318594D+01 -0.478944D+01  0.144743D+00  0.190823D+01
      2  -0.120714D+01  0.709910D+00  0.144743D+00 -0.202717D+00  0.726987D-01
      3   0.709910D+00 -0.125526D+01  0.190823D+01  0.726987D-01 -0.190071D+01
               121           122           123           124           125 
      1   0.237702D+01 -0.808297D+00 -0.660551D+00  0.595710D+01  0.592659D+00
      2  -0.808297D+00 -0.217701D+00  0.812024D+00  0.592659D+00  0.117503D+01
      3  -0.660551D+00  0.812024D+00  0.101319D+01 -0.512190D+01  0.324908D+00
               126           127           128           129           130 
      1  -0.512190D+01 -0.544445D+01  0.254697D+01  0.245778D+01  0.235536D+01
      2   0.324908D+00  0.254697D+01 -0.241766D+01 -0.102166D+01 -0.207402D+01
      3   0.732702D+01  0.245778D+01 -0.102166D+01 -0.182822D+01 -0.834748D+00
               131           132           133           134           135 
      1  -0.207402D+01 -0.834748D+00  0.405970D+01 -0.145147D+01 -0.292710D+01
      2   0.194237D+01  0.112547D+01 -0.145147D+01  0.178024D+01  0.214573D+01
      3   0.112547D+01  0.126003D+01 -0.292710D+01  0.214573D+01  0.255209D+01
               136           137           138           139           140 
      1  -0.231398D+01  0.206166D+01 -0.106683D+01  0.206763D+01 -0.219869D+01
      2   0.206166D+01 -0.171404D+01  0.677453D+00 -0.219869D+01  0.370257D+01
      3  -0.106683D+01  0.677453D+00 -0.122679D+01  0.100365D+01 -0.210134D+01
               141           142           143           144           145 
      1   0.100365D+01 -0.291485D+01  0.221498D+01 -0.309751D+01  0.362403D-02
      2  -0.210134D+01  0.221498D+01 -0.452839D+01  0.320797D+01 -0.169695D+00
      3   0.183555D+01 -0.309751D+01  0.320797D+01 -0.470421D+01  0.622497D+00
               146           147           148           149           150 
      1  -0.169695D+00  0.622497D+00 -0.748871D+00  0.473407D+00 -0.207515D+00
      2   0.243496D+00  0.179605D-01  0.473407D+00  0.398693D+00  0.871338D+00
      3   0.179605D-01  0.537349D+00 -0.207515D+00  0.871338D+00 -0.654501D+00
               151           152           153           154           155 
      1   0.166425D+01 -0.394624D+00  0.651108D+00  0.282945D+00  0.115730D+01
      2  -0.394624D+00  0.164195D+01  0.112065D+01  0.115730D+01  0.597017D+00
      3   0.651108D+00  0.112065D+01  0.703784D+01 -0.110991D+00  0.684240D-01
               156           157           158           159           160 
      1  -0.110991D+00  0.125737D+01  0.347787D+00  0.707973D-01 -0.487353D+00
      2   0.684240D-01  0.347787D+00  0.121716D+02  0.544360D+00  0.600001D-01
      3   0.208416D+00  0.707973D-01  0.544360D+00  0.906847D+00  0.130776D+00
               161           162           163           164           165 
      1   0.600001D-01  0.130776D+00  0.412093D+01  0.284674D+00 -0.314711D+01
      2  -0.102843D+01  0.111223D+01  0.284674D+00 -0.323878D+01 -0.624425D+00
      3   0.111223D+01  0.373019D+00 -0.314711D+01 -0.624425D+00 -0.179414D+01
               166           167           168           169           170 
      1  -0.984730D-01 -0.469020D+01 -0.852440D+00 -0.438967D+01 -0.612425D+00
      2  -0.469020D+01  0.557625D+01 -0.326968D+01 -0.612425D+00 -0.196779D+01
      3  -0.852440D+00 -0.326968D+01 -0.311410D+01 -0.279016D+01 -0.251461D+01
               171           172           173           174           175 
      1  -0.279016D+01 -0.371461D+01 -0.635632D+00 -0.334637D+01 -0.139348D+01
      2  -0.251461D+01 -0.635632D+00 -0.378377D+01 -0.972407D+00 -0.610878D+01
      3  -0.826702D+00 -0.334637D+01 -0.972407D+00 -0.132040D+01 -0.141986D+01
               176           177           178           179           180 
      1  -0.610878D+01 -0.141986D+01 -0.394888D+01 -0.145291D+01 -0.252327D+01
      2   0.512115D+01 -0.168551D+00 -0.145291D+01 -0.620176D+00 -0.285478D+01
      3  -0.168551D+00 -0.283728D+01 -0.252327D+01 -0.285478D+01  0.482986D+01
               181           182           183           184           185 
      1  -0.597341D+01 -0.262274D+00  0.113051D+01 -0.448837D+00 -0.109947D+00
      2  -0.262274D+00 -0.853700D+00  0.686205D+00 -0.109947D+00 -0.732710D+00
      3   0.113051D+01  0.686205D+00 -0.268383D+01  0.306902D+00  0.646621D+00
               186           187           188           189           190 
      1   0.306902D+00  0.103476D+01  0.337164D+00 -0.120646D+01  0.285650D+01
      2   0.646621D+00  0.337164D+00  0.641955D+00  0.741638D-01  0.725754D+00
      3   0.124970D+00 -0.120646D+01  0.741638D-01  0.148805D+01  0.270554D+01
               191           192           193           194           195 
      1   0.725754D+00  0.270554D+01  0.215513D+01  0.162765D+01  0.190504D+01
      2   0.136117D+01  0.647638D+00  0.162765D+01  0.128477D+01  0.188289D+01
      3   0.647638D+00  0.318120D+01  0.190504D+01  0.188289D+01  0.379335D+01
               196           197           198           199           200 
      1   0.213629D+01  0.789459D+00  0.287007D+01  0.168902D+01 -0.182187D+01
      2   0.789459D+00  0.137858D+01  0.154912D+01 -0.182187D+01  0.241909D+01
      3   0.287007D+01  0.154912D+01  0.549585D+01  0.126842D+01 -0.805042D+00
               201           202           203           204           205 
      1   0.126842D+01 -0.256283D+01  0.330283D+01 -0.110420D+01  0.482977D+00
      2  -0.805042D+00  0.330283D+01 -0.779630D+01  0.295115D+01 -0.236114D+00
      3   0.137049D+01 -0.110420D+01  0.295115D+01 -0.219209D+01  0.853437D+00
               206           207           208           209           210 
      1  -0.236114D+00  0.853437D+00  0.459180D+00  0.479404D+00 -0.808388D+00
      2   0.938555D+00 -0.946405D+00  0.479404D+00  0.448880D+00 -0.460641D-01
      3  -0.946405D+00  0.978231D+00 -0.808388D+00 -0.460641D-01  0.828621D+00
               211           212           213           214           215 
      1   0.131199D+01  0.102453D+01 -0.545116D+00 -0.299410D+01 -0.214559D+00
      2   0.102453D+01  0.388695D+00 -0.102861D+01 -0.214559D+00 -0.137316D+01
      3  -0.545116D+00 -0.102861D+01  0.197611D+01  0.273536D+01  0.147847D+01
               216           217           218           219           220 
      1   0.273536D+01  0.351222D+01 -0.206908D+01  0.150354D+00 -0.537362D+01
      2   0.147847D+01 -0.206908D+01  0.219757D+01  0.142608D+00  0.484658D+01
      3  -0.705231D+01  0.150354D+00  0.142608D+00  0.413077D+00  0.615270D+00
               221           222           223           224           225 
      1   0.484658D+01  0.615270D+00  0.934407D+00  0.563336D-01  0.100937D+01
      2  -0.730378D+01 -0.237788D+00  0.563336D-01  0.139341D+00 -0.600582D+00
      3  -0.237788D+00 -0.112235D+01  0.100937D+01 -0.600582D+00 -0.345009D+00
               226           227           228           229           230 
      1   0.746788D+01  0.186914D+01  0.198833D+01  0.477934D+01  0.292348D+01
      2   0.186914D+01  0.166329D+01  0.754458D+00  0.292348D+01  0.153734D+01
      3   0.198833D+01  0.754458D+00  0.148597D+01  0.114570D+01  0.939154D+00
               231           232           233           234 
      1   0.114570D+01  0.544470D+01  0.125669D+01  0.231399D+01
      2   0.939154D+00  0.125669D+01  0.134983D+01  0.109969D+01
      3   0.156080D+01  0.231399D+01  0.109969D+01  0.167904D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.327339D+01 -0.993454D+00 -0.228339D+01 -0.154559D+01  0.695845D+01
      2  -0.321266D+02  0.370632D+00 -0.332162D+01 -0.332945D+01 -0.395327D+01
      3   0.320993D+02 -0.496302D+01  0.130835D+01  0.180479D+02  0.861348D+01
                 6             7             8             9            10 
      1   0.720618D+00  0.805186D+00  0.396462D+01  0.224323D+01  0.169940D+01
      2  -0.277096D+00 -0.212225D+02 -0.171909D+01 -0.516911D+01 -0.360524D+01
      3   0.274476D+01  0.110507D+02 -0.117490D+01  0.554632D+01 -0.681510D+01
                11            12            13            14            15 
      1  -0.279906D+01 -0.486428D+00 -0.202335D+00 -0.798717D+01 -0.434964D+01
      2   0.613512D+01  0.102080D+01 -0.611484D+00  0.142328D+01  0.177777D+01
      3  -0.243578D+01 -0.552000D+01  0.113130D+02 -0.133727D+02 -0.984746D-01
                16            17            18            19            20 
      1  -0.121950D+01  0.305525D+01 -0.235227D+01  0.305106D+00  0.114100D+00
      2  -0.468755D+01  0.641433D+01  0.191430D+01  0.261162D+02 -0.265134D+01
      3  -0.126747D+02  0.155283D+00 -0.291884D+01 -0.482697D+02  0.127689D+02
                21            22            23            24            25 
      1   0.461390D+01  0.250143D+01 -0.399207D+01 -0.325538D+01  0.939797D+01
      2  -0.410965D+01 -0.757267D+01  0.474530D+01  0.239083D+01 -0.250665D+02
      3   0.283149D+01  0.233552D+02 -0.651474D+01 -0.333026D+01  0.119688D+02
                26            27            28            29            30 
      1   0.917917D+00 -0.339383D+01  0.513747D+00  0.943332D+00 -0.333962D+01
      2   0.287376D+01  0.777340D+01 -0.259810D+02  0.310425D+01  0.720050D+01
      3  -0.392949D+01 -0.100197D+02  0.421041D+02 -0.169662D+02 -0.573965D+01
                31            32            33            34            35 
      1   0.163678D+01  0.712231D+00  0.194322D+01 -0.738418D+01  0.101293D+02
      2   0.115486D+02 -0.356679D+01 -0.365437D+01  0.262264D+01 -0.243694D+01
      3  -0.187401D+02  0.902608D+01 -0.129916D+01 -0.155456D+02  0.177860D+01
                36            37            38            39            40 
      1   0.370869D+01 -0.881864D+00  0.214752D+00  0.106944D+01  0.746573D+00
      2  -0.587731D+01 -0.202341D+01  0.255485D+01 -0.912671D+01  0.380705D+01
      3   0.755372D+01 -0.233162D+02  0.121070D+01 -0.152719D+01  0.130209D+02
                41            42            43            44            45 
      1   0.316343D+01 -0.273822D+01  0.583161D+01  0.653714D+00 -0.499375D+01
      2  -0.565537D+01  0.563375D+01 -0.333885D+02  0.548435D+01  0.208142D+02
      3   0.232632D+02  0.572038D+01 -0.288928D+01  0.690053D+01 -0.114286D+02
                46            47            48            49            50 
      1   0.328918D+01  0.280699D+00 -0.448363D+01  0.200958D+01 -0.206486D+01
      2   0.667036D+01 -0.197137D+01 -0.455436D+01 -0.179373D+01 -0.267697D+00
      3  -0.898062D+01 -0.553846D+01 -0.442989D+01  0.104600D+02 -0.573594D+01
                51            52            53            54            55 
      1   0.248784D+01 -0.119374D+02  0.120615D+02 -0.218909D+01 -0.182778D+01
      2   0.505563D+01 -0.150707D+02  0.822716D+01 -0.270659D+01 -0.305435D+01
      3   0.288980D+01 -0.668477D+01  0.838378D+01 -0.268233D+01  0.928901D+01
                56            57            58            59            60 
      1  -0.100302D+01  0.232141D+01  0.419145D+00 -0.738433D+01 -0.508478D+01
      2  -0.279914D+00  0.153979D+01 -0.239355D+01  0.132165D+01 -0.564591D+00
      3   0.552300D+01  0.389503D+01  0.114118D+02 -0.526238D+01  0.483882D+00
                61            62            63            64            65 
      1   0.298051D+01  0.297896D+01  0.127517D+02 -0.699375D+00  0.261777D+01
      2  -0.138329D+01 -0.124936D+01  0.274701D+01  0.272541D+02 -0.207951D+01
      3   0.372842D+01 -0.375916D-01 -0.108418D+01 -0.819174D+01 -0.104096D+02
                66            67            68            69            70 
      1   0.206399D+01 -0.481909D+01  0.264265D+01 -0.417545D+01 -0.227550D+01
      2   0.117829D+02  0.609691D+01  0.404575D+01  0.322469D+01  0.102053D+02
      3  -0.353262D+00 -0.150025D+02  0.847822D+01 -0.230143D+01 -0.988678D+01
                71            72            73            74            75 
      1   0.525187D+01 -0.136054D-02 -0.168651D+01 -0.459275D+00  0.144917D+01
      2   0.398353D+01 -0.983798D-01  0.542150D+01 -0.926271D+00  0.112013D+01
      3  -0.190897D+01 -0.593952D+01 -0.430905D+01 -0.114819D+01  0.942436D+00
                76            77            78            79            80 
      1   0.405153D+00  0.711131D-01 -0.937401D+00  0.209984D+01  0.373929D+01
      2  -0.404557D+01 -0.842222D+00 -0.141746D+01 -0.352540D+01 -0.908633D+00
      3   0.773458D+01 -0.465941D+00  0.277074D+00  0.153440D+01  0.186014D+01
                81            82            83            84            85 
      1  -0.248961D+01  0.549683D+00 -0.807412D-01 -0.189170D+01  0.429876D+00
      2  -0.236133D+01  0.229155D+01 -0.925279D+00  0.238453D+01 -0.361237D+00
      3  -0.907480D+00  0.139427D+01 -0.240325D+01  0.179299D+00  0.381143D+01
                86            87            88            89            90 
      1  -0.130444D+01 -0.301901D+01 -0.908186D+00  0.856641D+00  0.276439D+01
      2  -0.110526D+01  0.134045D+01 -0.226832D+01  0.369569D-01 -0.216513D+01
      3  -0.400831D+01  0.115053D+01 -0.642956D+00  0.209523D+01  0.171151D-01
                91            92            93            94            95 
      1  -0.780595D+00  0.123487D+01 -0.440611D+00  0.104928D+01  0.619952D+01
      2   0.362220D+00 -0.123637D+01 -0.999668D-01 -0.178430D+01 -0.680912D+00
      3  -0.421459D+00 -0.276688D+00  0.900822D+00  0.497206D+01 -0.759457D+01
                96            97            98            99           100 
      1  -0.458805D+01 -0.379875D+01  0.120419D+01  0.951145D+00 -0.737063D+00
      2   0.169314D+01 -0.251939D+01  0.782409D-01 -0.729539D+00  0.130184D+01
      3  -0.948552D+00  0.595545D+01 -0.904532D+00  0.387960D+00 -0.282162D+01
               101           102           103           104           105 
      1  -0.513564D+00 -0.118249D+00 -0.495599D+00 -0.214538D+01 -0.429350D+01
      2   0.369760D+00  0.146206D+01  0.160846D+00  0.167505D+01  0.462873D+01
      3  -0.237633D+01  0.377448D+00 -0.439024D+01 -0.271624D+02 -0.196056D+01
               106           107           108           109           110 
      1  -0.115092D+00 -0.974709D-01 -0.496440D+00 -0.115863D+00  0.867919D+00
      2   0.128586D+01  0.224112D+01  0.299251D-01  0.818170D+01 -0.216308D+01
      3  -0.158717D+00 -0.339007D+01 -0.170444D+01  0.151404D+02 -0.821322D+01
               111           112           113           114           115 
      1  -0.107011D+01  0.289597D+00 -0.919088D+00 -0.199610D+00 -0.120782D+01
      2   0.946516D+01 -0.348164D+01  0.302605D+01 -0.442498D+01  0.113038D+02
      3   0.428135D+01 -0.828044D+01  0.441271D+01 -0.366118D+01  0.663192D+01
               116           117           118           119           120 
      1   0.156673D+01 -0.741059D+00  0.206311D+01 -0.660222D+00 -0.175972D+01
      2  -0.285367D+01  0.500607D+01 -0.653535D+01 -0.652476D+00  0.811742D+01
      3  -0.622232D+01  0.537687D+01  0.626281D+01 -0.226819D+01 -0.203867D+01
               121           122           123           124           125 
      1  -0.919568D+00  0.943456D+00  0.414537D+00 -0.327340D+01  0.337434D+01
      2   0.201617D+01 -0.258277D+01 -0.396094D+01  0.172797D+02 -0.129730D+01
      3  -0.258685D+01  0.301530D-01  0.283691D+01 -0.423825D+01  0.517197D+01
               126           127           128           129           130 
      1   0.688190D+01 -0.445864D+01  0.102656D+01  0.396760D+01  0.976778D+00
      2  -0.280421D+02 -0.510063D+01  0.309519D+01  0.605073D+01  0.191314D+01
      3   0.637974D+01 -0.380707D+01 -0.507395D+01  0.135932D+01  0.937580D+00
               131           132           133           134           135 
      1  -0.140378D+01 -0.303969D+01  0.502707D+01 -0.140084D+01 -0.451023D+01
      2  -0.265605D+01 -0.355117D+01  0.412451D+01 -0.493646D+01 -0.660858D+01
      3   0.780277D+00  0.760240D+00  0.526731D+01  0.241850D+01  0.275904D+00
               136           137           138           139           140 
      1   0.167707D+01 -0.109083D+01  0.228105D+01 -0.123205D+01  0.206511D+01
      2   0.130600D+01 -0.623160D+00  0.390288D+01 -0.262534D+00  0.318888D+01
      3   0.133875D+01 -0.186175D+01  0.391949D+00 -0.500147D+00  0.697898D+01
               141           142           143           144           145 
      1  -0.472901D+01  0.607507D+01 -0.419958D+01  0.809394D+01 -0.244963D+01
      2  -0.408530D+01  0.413791D+01 -0.605428D+01  0.918372D+01 -0.489570D+00
      3  -0.293133D+01  0.346994D+00 -0.961804D+01  0.325928D+01 -0.135973D+00
               146           147           148           149           150 
      1   0.108419D+01 -0.180775D+01  0.128542D+01 -0.163614D+01  0.186038D+01
      2   0.438430D+00 -0.280626D-02  0.196084D+01 -0.162925D+01  0.923871D+00
      3  -0.286065D+01  0.157624D+01 -0.195477D+01  0.696487D+00  0.114023D+00
               151           152           153           154           155 
      1  -0.226884D+01  0.226190D+01 -0.157371D+02  0.928042D+00  0.368676D+00
      2  -0.445938D+01  0.154700D+00 -0.353675D+01  0.694115D+00 -0.543975D+00
      3   0.487382D+01 -0.672682D+00  0.128599D+01  0.706938D+00  0.107036D+01
               156           157           158           159           160 
      1  -0.623028D+00 -0.167293D+00  0.475063D+01 -0.486200D+01 -0.688650D+00
      2   0.966967D+00 -0.134783D+01 -0.854062D+00 -0.323215D+00 -0.650851D+00
      3  -0.812410D+00  0.755983D+01  0.541159D+01  0.254772D+00 -0.145262D+01
               161           162           163           164           165 
      1  -0.136890D+01 -0.378008D+00 -0.146564D+01 -0.710566D+01 -0.268436D+01
      2  -0.354365D+00 -0.558772D+00 -0.170313D+02 -0.250375D+01  0.721299D+01
      3  -0.747274D+00  0.114151D+01 -0.416918D+01  0.343355D+01  0.413846D+01
               166           167           168           169           170 
      1  -0.107728D+02  0.844479D+01 -0.120882D+02 -0.357348D+01 -0.538881D+01
      2  -0.387002D+01  0.131177D+01 -0.352448D+01 -0.329701D+00 -0.298076D+01
      3   0.107681D+02 -0.707411D+01  0.633169D+01  0.507866D+01  0.476431D+01
               171           172           173           174           175 
      1  -0.671087D+01 -0.112611D+01  0.101667D+01 -0.579115D+00  0.257561D+01
      2   0.431532D+00 -0.143086D+02 -0.375259D+01 -0.659309D+01 -0.532462D+01
      3   0.672886D+01  0.515932D+01  0.143291D+02  0.477325D+01  0.287838D+02
               176           177           178           179           180 
      1  -0.268114D+01 -0.257121D+01 -0.423621D+00  0.112888D+01  0.325375D+01
      2  -0.465060D+01 -0.114839D+02 -0.165153D+02 -0.110090D+02  0.170895D+02
      3  -0.171070D+02  0.124770D+01  0.725579D+01  0.201164D+01  0.117154D+02
               181           182           183           184           185 
      1  -0.297807D-01 -0.266759D+01 -0.147492D+01 -0.127400D+01  0.155673D+00
      2   0.199482D+02  0.920301D+00 -0.402342D+01  0.105110D+01  0.163396D+01
      3   0.701218D+01 -0.442708D+00 -0.132952D+01  0.232872D+01  0.738704D+00
               186           187           188           189           190 
      1  -0.125065D-01 -0.121650D+01  0.221420D+01  0.799575D+00  0.386171D+01
      2  -0.336671D+00 -0.589438D+01 -0.515944D+00  0.386480D+01  0.642016D+00
      3  -0.678016D+00 -0.767326D+00 -0.103641D+00  0.112591D+01 -0.294111D+01
               191           192           193           194           195 
      1   0.444719D+01  0.362920D+01  0.458301D+01  0.544775D+01  0.513342D+01
      2  -0.303577D+00  0.346411D+01 -0.123410D+01  0.141349D+01  0.487329D+01
      3  -0.409561D+01 -0.321539D+01 -0.301193D+01 -0.410240D+01 -0.464371D+01
               196           197           198           199           200 
      1   0.428001D+01  0.622455D+01  0.727460D+01 -0.230136D+01  0.451339D+01
      2  -0.234723D+01  0.126067D+01  0.606443D+01 -0.434473D+00  0.106882D+01
      3  -0.203760D+01 -0.404487D+01 -0.470500D+01  0.158768D+01 -0.429509D+01
               201           202           203           204           205 
      1   0.103885D+01  0.568583D+01 -0.129693D+02  0.521023D+00  0.201745D-01
      2   0.206227D+01  0.348744D+01  0.662123D+00 -0.349859D+01 -0.705485D+00
      3   0.866134D+00 -0.745548D+00  0.116618D+02 -0.435536D+01 -0.409177D+00
               206           207           208           209           210 
      1   0.245213D+01 -0.865002D+00 -0.646802D+00 -0.378294D+00  0.373507D+00
      2  -0.582010D+00  0.636249D+00 -0.333759D+01  0.426152D-01  0.363044D+01
      3  -0.125595D+01  0.765043D+00 -0.179937D+01 -0.204199D+01  0.734127D+00
               211           212           213           214           215 
      1  -0.378040D+00 -0.112512D+01  0.132451D+00  0.740070D+00  0.411637D+01
      2  -0.219640D+00 -0.253149D+01  0.694537D+01  0.363800D+01  0.537596D+01
      3  -0.220046D+01 -0.194067D+01  0.355637D+01  0.115112D+01  0.571369D+01
               216           217           218           219           220 
      1  -0.262844D+01  0.910927D+00 -0.101762D+01  0.842439D+00 -0.112309D+01
      2  -0.233708D+02  0.207190D+01 -0.498748D+00  0.312403D+01 -0.409418D+00
      3  -0.638677D+01  0.583333D+01 -0.889288D+01 -0.698454D+00 -0.119868D+02
               221           222           223           224           225 
      1   0.326399D+01 -0.334883D+01  0.277611D+00  0.528646D+00  0.628702D-01
      2   0.179112D+01 -0.492774D+01  0.231325D+01 -0.142164D+01 -0.806713D+00
      3   0.252469D+02  0.303786D+00 -0.134699D+01 -0.539439D+00  0.129613D+01
               226           227           228           229           230 
      1   0.135639D+00  0.392171D-01 -0.607912D+00 -0.230018D+00  0.146292D+00
      2   0.103318D+02  0.365914D+01  0.884114D+01  0.599972D+01  0.473733D+01
      3  -0.943933D+01 -0.903654D+01 -0.353855D+01 -0.104797D+02 -0.750882D+01
               231           232           233           234 
      1  -0.143828D+01  0.245480D+00  0.103907D+01 -0.651469D+00
      2   0.754298D+01  0.849796D+01  0.470000D+01  0.791025D+01
      3  -0.389815D+01 -0.610861D+01 -0.670390D+01 -0.507877D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.425070D+01  0.972838D+00 -0.743440D+01  0.414259D+01 -0.359749D+01
      2   0.101214D+02 -0.229953D+01 -0.168931D+01 -0.155533D+01  0.665106D+01
      3  -0.143721D+02  0.132669D+01  0.912371D+01 -0.258727D+01 -0.305357D+01
      4   0.149056D+02  0.280322D+01 -0.257498D+01 -0.121752D+01  0.380752D-01
      5   0.206336D+01 -0.351200D+01 -0.100523D+02  0.278963D+01 -0.145464D+01
      6  -0.912395D+00 -0.144095D+01  0.118028D+01  0.772097D-01  0.746620D+01
                 6             7             8             9            10 
      1   0.501237D+01 -0.239451D+02  0.657859D+00  0.925744D+01 -0.757719D+01
      2   0.228815D+00  0.938049D+00  0.350258D+01  0.734758D+01  0.527584D+01
      3  -0.524118D+01  0.230071D+02 -0.416044D+01 -0.166050D+02  0.230135D+01
      4  -0.112300D+01 -0.651730D+01  0.403926D+01  0.767743D+01  0.395702D+01
      5   0.229921D+01 -0.150384D+02  0.544971D+01  0.129091D+02  0.266330D+00
      6  -0.199943D+01  0.819156D+01 -0.226499D+01 -0.962415D+01  0.482231D+01
                11            12            13            14            15 
      1   0.711131D+01 -0.430105D+01  0.749805D+01 -0.108199D+02 -0.169483D+01
      2   0.698138D+00  0.478696D+01 -0.304409D+01  0.119423D+02  0.416654D+01
      3  -0.780945D+01 -0.485902D+00 -0.445396D+01 -0.112237D+01 -0.247171D+01
      4  -0.472878D+01  0.807487D+01 -0.755512D+01  0.609974D+00  0.710185D+01
      5   0.745221D+01 -0.479025D+01  0.163502D+01  0.486871D+01 -0.343811D+01
      6   0.440244D+01 -0.591019D+01  0.682876D+01  0.497870D+01 -0.327819D+01
                16            17            18            19            20 
      1  -0.656474D+01  0.633165D+01 -0.209072D+01 -0.503739D+02  0.133742D+02
      2   0.494029D+01 -0.142386D+01  0.167999D+01  0.177818D+02 -0.107543D+02
      3   0.162444D+01 -0.490779D+01  0.410729D+00  0.325921D+02 -0.261989D+01
      4   0.128433D+02  0.537988D+01 -0.446123D+01 -0.147799D+02 -0.886155D+01
      5  -0.573614D+01 -0.321663D+01  0.452404D+01 -0.173418D+01  0.156167D+01
      6  -0.584218D+01 -0.527752D+01  0.813227D+01  0.474689D+01 -0.118620D+01
                21            22            23            24            25 
      1   0.416878D+01  0.272577D+02  0.568167D+01 -0.297884D+01  0.180007D+02
      2   0.132544D+00 -0.224240D+02 -0.209190D+02 -0.350965D+01 -0.598172D+00
      3  -0.430132D+01 -0.483370D+01  0.152374D+02  0.648849D+01 -0.174025D+02
      4   0.199694D+01 -0.196921D+01 -0.120830D+02 -0.132043D+01  0.357631D+01
      5  -0.270778D+01 -0.566323D+01 -0.286514D+01  0.275365D+01  0.376168D+01
      6  -0.545518D+01 -0.528851D+01 -0.828140D+01  0.562059D+01 -0.113471D+02
                26            27            28            29            30 
      1  -0.330604D+01 -0.235137D+02  0.708147D+02 -0.225400D+02 -0.148726D+02
      2  -0.553567D+01 -0.174039D-01 -0.365411D+02  0.111583D+02  0.350765D+01
      3   0.884171D+01  0.235311D+02 -0.342735D+02  0.113816D+02  0.113650D+02
      4   0.470788D+01  0.238584D+01  0.372853D+01  0.651152D+01  0.116138D+01
      5   0.364460D+01  0.987240D+01 -0.234360D+01  0.339792D+01  0.113008D+02
      6   0.130254D+02  0.121411D+02 -0.452580D+01  0.700141D+01  0.539874D+01
                31            32            33            34            35 
      1  -0.228733D+02  0.815188D+01  0.262756D+01 -0.153975D+02  0.489275D+01
      2   0.907200D+01  0.655937D+01  0.167327D+01  0.522127D+01 -0.162677D+01
      3   0.138013D+02 -0.147113D+02 -0.430082D+01  0.101762D+02 -0.326599D+01
      4   0.150329D+02  0.119826D+01 -0.606458D+00  0.382273D+00  0.125798D+01
      5  -0.136742D+01  0.318277D+01 -0.566781D+01  0.237906D+02 -0.428633D+01
      6   0.584465D+01 -0.530617D+01 -0.376128D+01  0.531592D+01  0.314404D+01
                36            37            38            39            40 
      1   0.103356D+02 -0.649779D+02  0.221163D+02 -0.960699D+01  0.314039D+02
      2  -0.111561D+02  0.397841D+02 -0.123440D+02  0.241500D+01 -0.234103D+02
      3   0.820511D+00  0.251939D+02 -0.977233D+01  0.719199D+01 -0.799366D+01
      4  -0.642526D+00  0.976046D+01  0.220306D+01  0.415171D+01 -0.614327D+01
      5  -0.468319D+01 -0.130181D+02  0.404724D+01 -0.209147D+02  0.546234D+01
      6  -0.613578D+01  0.117365D+01 -0.653984D-01 -0.265649D+01 -0.908029D+00
                41            42            43            44            45 
      1   0.692369D+01  0.787116D+01 -0.169164D+02  0.729395D+01 -0.286990D+02
      2  -0.205219D+02 -0.511333D+01  0.271821D+00 -0.617319D+01  0.265792D+02
      3   0.135983D+02 -0.275784D+01  0.166446D+02 -0.112076D+01  0.211987D+01
      4  -0.390029D+02 -0.824619D+01  0.333116D+01 -0.920684D+01  0.350883D+01
      5  -0.104008D+02  0.109530D+02 -0.506318D+02  0.102429D+02  0.355717D+02
      6  -0.270251D+01  0.267340D+01 -0.722309D+01  0.186859D+01  0.697891D+01
                46            47            48            49            50 
      1   0.681186D+01  0.703081D+01  0.836610D+01  0.667719D+01 -0.121554D+02
      2  -0.444627D+01 -0.321274D+01 -0.360986D+01 -0.639998D+00  0.879488D+01
      3  -0.236559D+01 -0.381807D+01 -0.475625D+01 -0.603720D+01  0.336052D+01
      4   0.160519D+02 -0.148294D+02 -0.651705D+01 -0.249050D+02  0.882108D+01
      5   0.109918D+02 -0.496263D+01 -0.134377D+02  0.126447D+01 -0.408570D+01
      6  -0.869416D+01 -0.293234D+01  0.106813D+02 -0.555050D+01  0.976173D+01
                51            52            53            54            55 
      1  -0.116457D+01  0.789866D+01 -0.507023D+01 -0.593455D+01 -0.955402D+01
      2   0.234538D+01 -0.416502D+01  0.464398D+01  0.854988D+00  0.729652D+01
      3  -0.118080D+01 -0.373364D+01  0.426245D+00  0.507957D+01  0.225750D+01
      4  -0.169454D+01 -0.451515D+00 -0.981279D+01  0.226756D+02  0.243248D+00
      5   0.113477D+02 -0.251730D+02  0.198624D+02 -0.598910D+01 -0.101323D+01
      6  -0.109361D+02  0.204365D+02 -0.222778D+02  0.973054D+01  0.662376D+01
                56            57            58            59            60 
      1   0.199920D+01 -0.104752D+01 -0.248214D+01  0.299410D+02 -0.944289D+00
      2  -0.597831D+01  0.107027D+01 -0.206088D-01 -0.499460D+02 -0.184726D+01
      3   0.397911D+01 -0.227480D-01  0.250275D+01  0.200050D+02  0.279155D+01
      4  -0.400460D+00  0.264966D+01  0.627426D+01  0.445558D+01 -0.696799D+00
      5   0.197960D+01 -0.522908D-02 -0.953567D+00 -0.133826D+01 -0.111785D+00
      6   0.363470D+00 -0.182595D+01 -0.359413D+00 -0.400246D+01  0.420986D+01
                61            62            63            64            65 
      1  -0.149208D+01 -0.116147D+01  0.117564D+02  0.683685D+01 -0.331696D+01
      2   0.137435D+01  0.527934D+01  0.644414D+01 -0.101433D+02 -0.262562D+00
      3   0.117728D+00 -0.411787D+01 -0.182005D+02  0.330645D+01  0.357952D+01
      4  -0.107977D+01  0.910845D+00 -0.495085D+01 -0.820821D+01  0.840210D+01
      5   0.488897D+01 -0.186884D+01  0.440060D+00  0.161969D+02 -0.102243D+01
      6  -0.324631D+01  0.312745D+01 -0.170165D+02 -0.423845D+01  0.313057D+01
                66            67            68            69            70 
      1   0.153115D+02 -0.500766D+01  0.144869D+02 -0.547006D-01  0.216266D+02
      2  -0.964765D+01  0.575872D+00 -0.537035D+01 -0.149181D+01 -0.128869D+02
      3  -0.566383D+01  0.443178D+01 -0.911655D+01  0.154651D+01 -0.873965D+01
      4  -0.296399D+01  0.197771D+02 -0.159682D+02  0.301256D+01 -0.492626D+01
      5   0.102353D+02 -0.465910D-01  0.478346D+01  0.456156D+01  0.183894D+02
      6   0.108971D+01  0.625044D+00 -0.469353D+01  0.250252D+01 -0.291909D+01
                71            72            73            74            75 
      1  -0.684813D+00  0.368722D+01 -0.137507D+01  0.102152D-02  0.421626D+01
      2  -0.177731D+01 -0.814256D+01 -0.546191D+01  0.131314D+01  0.417867D+01
      3   0.246212D+01  0.445534D+01  0.683698D+01 -0.131416D+01 -0.839492D+01
      4   0.228469D+01  0.319578D+01 -0.646760D+01  0.484808D+01  0.387158D+01
      5   0.430870D+01 -0.517188D+01 -0.845275D+01  0.354497D+01  0.129249D+02
      6   0.354836D+01  0.131552D+01  0.439278D+01 -0.247356D+01 -0.401678D+01
                76            77            78            79            80 
      1   0.436885D+01 -0.693949D+01 -0.742620D+01  0.572705D+01 -0.736590D+01
      2  -0.718920D+00  0.148581D+01 -0.492159D+00  0.626443D+01 -0.229173D+01
      3  -0.364993D+01  0.545368D+01  0.791836D+01 -0.119915D+02  0.965762D+01
      4   0.440352D+01 -0.213851D+01 -0.399950D+01  0.523699D+01 -0.429096D+01
      5   0.400346D+01 -0.396875D+01 -0.472956D+01  0.141807D+02 -0.599866D+01
      6  -0.276375D+01  0.590585D+01  0.103177D+02 -0.460853D+01  0.104215D+02
                81            82            83            84            85 
      1  -0.262706D+02  0.642018D+01 -0.172059D+01  0.779041D+00 -0.834862D+00
      2  -0.145029D+02 -0.226415D+01  0.302922D+01 -0.324265D+00  0.293396D+01
      3   0.407734D+02 -0.415603D+01 -0.130863D+01 -0.454776D+00 -0.209910D+01
      4  -0.756154D+01  0.112194D+02  0.127140D+02 -0.828543D+01  0.112981D+02
      5  -0.193771D+02 -0.712569D+01 -0.670021D+01  0.890506D+01 -0.563285D+01
      6   0.166450D+02 -0.768353D+01 -0.689387D+01  0.692147D+01 -0.708336D+01
                86            87            88            89            90 
      1  -0.107269D+02  0.508490D+01 -0.282026D+00  0.503122D+01 -0.668479D+01
      2   0.139098D+02 -0.484657D+01  0.235200D+00 -0.468697D+01  0.137355D+00
      3  -0.318290D+01 -0.238329D+00  0.468265D-01 -0.344253D+00  0.654743D+01
      4   0.162155D+02 -0.931744D+01 -0.877039D+01 -0.985036D+01  0.986202D+01
      5  -0.747613D+01  0.612123D+01  0.788524D+01  0.723041D+01 -0.938664D+01
      6  -0.149676D+02  0.130618D+02  0.764426D+01  0.133786D+02 -0.135450D+02
                91            92            93            94            95 
      1  -0.251501D+01  0.560291D+00  0.179075D+01  0.174424D+01 -0.330456D+02
      2   0.393615D+01  0.318062D+01 -0.580289D+00  0.221059D+01  0.480890D+02
      3  -0.142114D+01 -0.374091D+01 -0.121046D+01 -0.395483D+01 -0.150434D+02
      4   0.297440D+01  0.100771D+02  0.134539D+01  0.963144D+01  0.201582D+02
      5   0.105799D+01  0.177602D+01  0.172859D+01  0.243229D+01  0.528179D+01
      6   0.363050D+01  0.184197D-01  0.537594D-01  0.137227D+01  0.160126D+02
                96            97            98            99           100 
      1  -0.700311D+01  0.349069D+01 -0.373930D+01 -0.120622D+01  0.454257D+01
      2   0.647083D+01 -0.322653D+01  0.406637D+01  0.284696D+01  0.425110D+00
      3   0.532288D+00 -0.264155D+00 -0.327068D+00 -0.164074D+01 -0.496768D+01
      4   0.335035D+01  0.142622D+01 -0.161879D+00  0.974198D+00  0.559223D+01
      5   0.362223D+01  0.237666D+01  0.125545D+01 -0.151003D+00  0.232052D+01
      6   0.100660D+02  0.323762D+01  0.499074D+01  0.162649D+01  0.690102D+00
               101           102           103           104           105 
      1   0.529876D+01  0.237089D+01  0.115853D+02 -0.686524D+01 -0.891136D+00
      2  -0.183333D+01 -0.972464D+00  0.319680D+01  0.308638D+02  0.188883D+01
      3  -0.346543D+01 -0.139843D+01 -0.147821D+02 -0.239985D+02 -0.997697D+00
      4   0.882937D+01  0.797316D+00  0.277106D+02  0.562239D+02  0.361492D+01
      5   0.131526D+00  0.299030D+01  0.732686D+00  0.460861D+01  0.873685D+01
      6   0.117443D+00  0.195627D+00  0.439318D+00  0.144763D+00  0.710269D+01
               106           107           108           109           110 
      1   0.490864D+01 -0.973842D+00  0.325231D+00  0.851790D+02 -0.116719D+02
      2  -0.115674D+01  0.271909D+01  0.295792D+00 -0.463388D+02  0.777451D+01
      3  -0.375190D+01 -0.174525D+01 -0.621023D+00 -0.388402D+02  0.389743D+01
      4   0.365029D+01  0.737562D+01  0.541170D+01 -0.661296D+00  0.111663D+02
      5   0.684436D+01  0.521409D+01  0.281245D+00  0.257203D+02 -0.485157D+01
      6   0.224217D+01  0.647349D+01  0.158277D+01  0.983741D+00 -0.250956D+00
               111           112           113           114           115 
      1   0.185506D+02 -0.362122D+02  0.975670D+01 -0.586132D+01  0.403996D+02
      2  -0.106979D+02  0.206067D+02 -0.396323D+01  0.409379D+01 -0.223920D+02
      3  -0.785274D+01  0.156055D+02 -0.579347D+01  0.176753D+01 -0.180076D+02
      4  -0.245042D+01  0.107446D+02 -0.592088D+01  0.588149D+01 -0.991101D+00
      5   0.184999D+02 -0.938937D+01  0.704376D+01 -0.845968D+01  0.315235D+02
      6   0.228219D+01  0.148064D+01 -0.424713D+00  0.648453D+00  0.270563D+01
               116           117           118           119           120 
      1  -0.536351D+01  0.183399D+02  0.276962D+02 -0.212994D+01 -0.105994D+02
      2   0.465796D+01 -0.146939D+02 -0.186449D+02  0.160289D+01  0.846745D+01
      3   0.705549D+00 -0.364595D+01 -0.905127D+01  0.527045D+00  0.213200D+01
      4   0.901336D+01 -0.244212D+01  0.383348D+01  0.368736D+01 -0.240887D+01
      5  -0.585322D+01  0.127490D+02 -0.147788D+02 -0.422813D+00  0.192306D+02
      6   0.133791D+01  0.106888D+00 -0.293082D+01 -0.726159D+00  0.327432D+01
               121           122           123           124           125 
      1  -0.138037D+02  0.103264D+01  0.229153D+01 -0.252330D+02 -0.167297D+01
      2   0.101135D+02 -0.117308D+00 -0.381425D+01  0.226974D+02 -0.113861D+01
      3   0.369027D+01 -0.915336D+00  0.152272D+01  0.253566D+01  0.281158D+01
      4   0.554446D+01  0.167958D+01 -0.532424D+01 -0.921221D+01 -0.101081D+02
      5   0.468389D+01 -0.535393D+01 -0.714137D+01  0.435103D+02 -0.210974D+01
      6  -0.164321D+01  0.797070D-01  0.301993D+01  0.765295D+01  0.448164D+01
               126           127           128           129           130 
      1   0.150985D+02  0.218444D+02 -0.617402D+01 -0.893419D+01 -0.460749D+01
      2  -0.257568D+02 -0.904836D+01 -0.417225D+00  0.454610D+01 -0.189154D+01
      3   0.106583D+02 -0.127961D+02  0.659125D+01  0.438809D+01  0.649903D+01
      4   0.203239D+01 -0.229004D+02  0.180659D+02  0.964197D+01  0.153454D+02
      5  -0.543882D+02 -0.169747D+02  0.685156D+01  0.131474D+02  0.536035D+01
      6  -0.113194D+02  0.878509D+01 -0.461414D+01 -0.714026D+01 -0.452358D+01
               131           132           133           134           135 
      1   0.108170D+01  0.247931D+00 -0.125963D+02  0.566070D+00  0.324593D+01
      2   0.456839D+01  0.202211D+01  0.714794D+01  0.215809D+01 -0.423900D+01
      3  -0.565009D+01 -0.227005D+01  0.544836D+01 -0.272416D+01  0.993064D+00
      4  -0.137889D+02 -0.718679D+01  0.148683D+02 -0.124939D+02 -0.138983D+02
      5  -0.656147D+01 -0.669529D+01  0.185622D+02 -0.115326D+02 -0.153311D+02
      6   0.573639D+01  0.741493D+01 -0.111007D+02  0.108232D+02  0.928049D+01
               136           137           138           139           140 
      1   0.631238D+01 -0.478738D+01  0.291524D+01 -0.144225D+01 -0.525571D+01
      2  -0.238691D+01  0.752590D+00 -0.208887D+01 -0.284320D+01  0.996924D+01
      3  -0.392547D+01  0.403479D+01 -0.826367D+00  0.428545D+01 -0.471353D+01
      4  -0.135233D+02  0.130676D+02 -0.572812D+01  0.141757D+02 -0.164361D+02
      5   0.751729D+01 -0.479377D+01  0.988173D+01 -0.515625D+01  0.970995D+01
      6  -0.589314D+01  0.446508D+01 -0.549212D+01  0.690582D+01 -0.133331D+02
               141           142           143           144           145 
      1   0.289127D+01  0.508141D+01  0.560986D+01 -0.258623D+01  0.566972D+00
      2  -0.433156D+01 -0.270155D+01 -0.694393D+01 -0.306318D+01 -0.351834D+01
      3   0.144029D+01 -0.237986D+01  0.133407D+01  0.564941D+01  0.295137D+01
      4   0.101567D+02 -0.153274D+02  0.200858D+02 -0.174822D+02  0.397217D+00
      5  -0.840116D+01  0.182862D+02 -0.158328D+02  0.209574D+02  0.108135D+01
      6   0.131887D+02 -0.150542D+02  0.209636D+02 -0.217856D+02  0.716687D+00
               146           147           148           149           150 
      1  -0.905111D+00 -0.750992D+00  0.407795D+00 -0.422756D+01 -0.710585D+00
      2   0.161310D+01 -0.516290D+00  0.910170D+00  0.374747D+01  0.352076D+01
      3  -0.707994D+00  0.126728D+01 -0.131796D+01  0.480091D+00 -0.281018D+01
      4   0.264588D+01  0.162042D+01 -0.204693D+00  0.433435D+00  0.146172D-01
      5  -0.389778D+00  0.570239D+01 -0.177313D+00  0.329527D+00  0.106251D+00
      6   0.130168D+01  0.149752D+01  0.486072D+00  0.233527D+01  0.191575D+01
               151           152           153           154           155 
      1  -0.663203D+00 -0.779111D+01 -0.196412D+02 -0.133548D+01 -0.316902D+01
      2  -0.138490D+01  0.558410D+01 -0.870064D+01  0.610429D+01  0.469615D+01
      3   0.204811D+01  0.220702D+01  0.283418D+02 -0.476881D+01 -0.152714D+01
      4   0.379196D+01  0.347839D+00  0.245456D+01  0.162034D+00  0.102671D+02
      5   0.411628D+01 -0.567203D+00 -0.722807D+00  0.254655D+00  0.882400D+00
      6   0.118133D+01  0.931001D+01  0.230054D+02 -0.442684D+00  0.410043D+00
               156           157           158           159           160 
      1  -0.409470D+00 -0.166783D+01 -0.474083D+02 -0.281740D+01  0.456892D-02
      2  -0.133153D+00  0.145808D+01  0.787720D+02  0.301509D+01  0.159095D+00
      3   0.542622D+00  0.209745D+00 -0.313637D+02 -0.197686D+00 -0.163664D+00
      4  -0.126506D+00  0.808180D+01 -0.311174D+01 -0.809892D-01 -0.894541D+00
      5   0.159051D+01  0.299629D+00  0.776041D+00 -0.293928D+00  0.556346D+00
      6   0.862295D+00  0.342732D+00  0.717625D+01  0.841355D+01  0.600796D+00
               161           162           163           164           165 
      1   0.297044D+01 -0.602135D+01  0.208352D+02 -0.205797D+01 -0.629085D+01
      2  -0.551220D+01  0.547007D+01 -0.405316D+01  0.103749D+02  0.878554D+01
      3   0.254176D+01  0.551283D+00 -0.167820D+02 -0.831696D+01 -0.249469D+01
      4   0.849009D+00 -0.114770D+00 -0.529997D+01 -0.985365D+01  0.268668D+00
      5  -0.601135D+00  0.631576D-01 -0.357454D+01 -0.165586D+01 -0.147476D+02
      6   0.920089D+01  0.934614D+00  0.175767D+01 -0.111925D+02 -0.414095D+01
               166           167           168           169           170 
      1  -0.237124D+01 -0.118519D+01 -0.930309D+00 -0.788265D+01  0.643295D+00
      2   0.155103D+02 -0.663773D+01  0.158586D+02  0.109650D+02  0.117235D+02
      3  -0.131390D+02  0.782292D+01 -0.149283D+02 -0.308234D+01 -0.123668D+02
      4  -0.178760D+02  0.238117D+02 -0.133125D+02  0.572925D+00 -0.768107D+01
      5  -0.354962D+01 -0.199003D+02 -0.140670D+02 -0.222412D+02 -0.107240D+02
      6  -0.160245D+02  0.173759D+02 -0.961162D+01 -0.471817D+01 -0.635657D+01
               171           172           173           174           175 
      1  -0.102710D+02 -0.815744D+01 -0.102966D+02 -0.235845D+02 -0.161481D+02
      2   0.932721D+01  0.330632D-01  0.967653D+01  0.109095D+02  0.164410D+02
      3   0.943752D+00  0.812438D+01  0.620077D+00  0.126750D+02 -0.292969D+00
      4  -0.816016D+01 -0.884547D+01 -0.274032D+02 -0.684769D+01 -0.447268D+02
      5  -0.100028D+02 -0.257259D+02 -0.698769D+01 -0.984272D+01 -0.112745D+02
      6  -0.130607D+02 -0.165434D+00  0.232883D+01 -0.230670D+00  0.344564D+01
               176           177           178           179           180 
      1  -0.257140D+02 -0.105177D+02 -0.298272D+02 -0.108212D+02 -0.820023D+01
      2   0.414120D+01  0.255778D+01  0.107322D+02  0.206993D+01  0.135535D+02
      3   0.215728D+02  0.795994D+01  0.190950D+02  0.875128D+01 -0.535327D+01
      4   0.358365D+02 -0.270070D+01 -0.115215D+02 -0.425025D+01 -0.187324D+02
      5  -0.119670D+01 -0.183301D+02 -0.163657D+02 -0.181454D+02  0.293838D+02
      6  -0.434635D+01 -0.110612D+01 -0.150432D+01  0.165791D+01  0.136972D+01
               181           182           183           184           185 
      1  -0.133133D+02 -0.247164D+01  0.118342D+02 -0.418317D+00 -0.315826D+01
      2   0.426759D+01  0.147579D+00  0.147395D+01 -0.141267D+01  0.294888D+01
      3   0.904576D+01  0.232406D+01 -0.133082D+02  0.183099D+01  0.209373D+00
      4   0.798933D+01  0.103533D+01 -0.722850D+00  0.397571D+01 -0.150368D+01
      5  -0.122455D+02  0.199636D+00  0.227325D+01 -0.181892D+00  0.875956D+00
      6  -0.145955D+01 -0.446500D+01  0.564073D+01 -0.767760D+00 -0.276174D+01
               186           187           188           189           190 
      1   0.179715D+01  0.751667D+01  0.151554D+01 -0.628186D+01  0.757471D+01
      2  -0.238077D+01  0.191458D+00 -0.127303D+01 -0.332668D+01 -0.119780D+02
      3   0.583625D+00 -0.770813D+01 -0.242510D+00  0.960853D+01  0.440329D+01
      4   0.955767D+00 -0.954271D+00 -0.595535D+00  0.261129D+01  0.403225D+01
      5   0.226563D+01  0.708939D+01  0.156133D+01 -0.280275D+01  0.192762D+02
      6   0.358708D+01  0.314650D+01  0.323568D+01 -0.148830D+01  0.326524D+01
               191           192           193           194           195 
      1   0.302027D+01  0.263094D+01  0.524821D+01 -0.482844D+00 -0.325823D+01
      2  -0.531214D+01 -0.125798D+02 -0.964076D+01 -0.242832D+01 -0.117802D+02
      3   0.229186D+01  0.994889D+01  0.439254D+01  0.291116D+01  0.150385D+02
      4   0.674448D+01  0.256900D+01  0.813240D+01  0.535523D+01  0.775879D+01
      5   0.545137D+01  0.217049D+02  0.137349D+02  0.105861D+02  0.183373D+02
      6   0.618765D+01  0.310877D+01  0.752005D+01  0.736363D+01  0.100705D+02
               196           197           198           199           200 
      1   0.311284D+01 -0.144732D+01 -0.703612D+01  0.428421D+01 -0.292641D+01
      2  -0.125915D+02 -0.624962D+01 -0.203824D+02 -0.371073D+00 -0.343281D+01
      3   0.947863D+01  0.769694D+01  0.274185D+02 -0.391314D+01  0.635921D+01
      4   0.250718D+01  0.571527D+01  0.555095D+01 -0.116976D+02  0.151802D+02
      5   0.204429D+02  0.789511D+01  0.278243D+02  0.844049D+01 -0.723701D+01
      6   0.386607D+01  0.811359D+01  0.756115D+01 -0.639004D+01  0.936963D+01
               201           202           203           204           205 
      1  -0.940120D-02 -0.286570D+01 -0.113771D+02  0.731387D+01 -0.646147D+00
      2  -0.190128D+01 -0.533777D+01  0.236711D+02 -0.482955D+01 -0.180374D+01
      3   0.191068D+01  0.820347D+01 -0.122940D+02 -0.248432D+01  0.244989D+01
      4  -0.503805D+01  0.192442D+02 -0.320894D+02  0.114320D+02 -0.144810D+01
      5   0.924707D+01 -0.978754D+01  0.150218D+02 -0.981878D+01  0.607575D+01
      6  -0.439920D+01  0.120065D+02 -0.283931D+02  0.166925D+02 -0.316900D+01
               206           207           208           209           210 
      1   0.365658D+01 -0.252101D+01  0.483016D+01  0.340837D+01 -0.543358D+01
      2  -0.857558D+00 -0.149411D+00 -0.478387D+01 -0.228484D+01  0.432358D+01
      3  -0.279903D+01  0.267042D+01 -0.462925D-01 -0.112352D+01  0.111001D+01
      4   0.370018D+01 -0.421942D+01  0.322773D+01  0.411174D+01 -0.983839D+00
      5  -0.427571D+01  0.548515D+01 -0.633728D+01 -0.154576D+01  0.106650D+02
      6   0.987203D+01 -0.536988D+01 -0.795640D+00 -0.422546D+00  0.126071D+00
               211           212           213           214           215 
      1   0.788368D+01  0.209484D+01  0.704000D+00 -0.145625D+02  0.136267D+01
      2  -0.562796D+01 -0.975571D+00  0.286678D+01  0.127939D+02  0.212345D+01
      3  -0.225572D+01 -0.111927D+01 -0.357078D+01  0.176856D+01 -0.348612D+01
      4   0.836405D+01  0.247255D+01 -0.659859D+01 -0.157825D+01 -0.961003D+01
      5  -0.478868D+01 -0.634785D+01  0.131056D+02  0.235077D+02  0.959086D+01
      6  -0.180984D+01 -0.222569D+01  0.474142D+01  0.574931D+00  0.512122D+01
               216           217           218           219           220 
      1   0.131722D+01  0.228423D+02 -0.123597D+02  0.116177D+01 -0.265532D+02
      2  -0.183983D+02 -0.701931D+01  0.266869D+01 -0.458458D+00  0.422751D+01
      3   0.170811D+02 -0.158230D+02  0.969097D+01 -0.703314D+00  0.223257D+02
      4   0.982964D+01 -0.180577D+02  0.219125D+02  0.146527D+01  0.404824D+02
      5  -0.465139D+02 -0.621332D+00  0.234301D+01  0.533339D+01  0.634512D+01
      6  -0.154290D+01  0.177276D+01 -0.207557D+01 -0.919771D+00 -0.423656D+01
               221           222           223           224           225 
      1   0.129633D+02  0.227486D+01  0.521242D+01  0.679652D+00  0.288780D+01
      2   0.106982D+02 -0.174850D+01 -0.154667D+01 -0.815475D+00 -0.142130D+01
      3  -0.236615D+02 -0.526352D+00 -0.366576D+01  0.135823D+00 -0.146650D+01
      4  -0.537788D+02 -0.163711D+01  0.268778D+00  0.117870D+01 -0.410565D+01
      5  -0.277779D+01 -0.917380D+01  0.862767D+01 -0.459095D+01 -0.261046D+01
      6   0.665082D+01  0.614093D+01 -0.271595D+01  0.498103D+01  0.768735D-01
               226           227           228           229           230 
      1   0.565326D+02  0.149402D+02  0.153517D+02  0.324173D+02  0.144927D+02
      2  -0.275241D+02 -0.720780D+01 -0.748406D+01 -0.153830D+02 -0.322925D+01
      3  -0.290085D+02 -0.773236D+01 -0.786768D+01 -0.170343D+02 -0.112635D+02
      4   0.173464D+02  0.163320D+02  0.632791D+01  0.256256D+02  0.134923D+02
      5   0.158881D+02  0.575668D+01  0.141715D+02  0.922500D+01  0.665900D+01
      6   0.770479D+00 -0.357472D+00 -0.125226D+00  0.714023D+00  0.174483D+01
               231           232           233           234 
      1   0.727380D+01  0.349426D+02  0.732331D+01  0.120177D+02
      2  -0.279720D+01 -0.175651D+02 -0.308528D+01 -0.927585D+01
      3  -0.447660D+01 -0.173775D+02 -0.423803D+01 -0.274189D+01
      4   0.769589D+01  0.112170D+02  0.112154D+02  0.860087D+01
      5   0.121179D+02  0.200172D+02  0.832747D+01  0.141991D+02
      6   0.233873D+01  0.163212D+01  0.162793D+01  0.169466D+01
 Leave Link  716 at Fri Jul 16 21:21:45 2021, MaxMem=  5637144576 cpu:               6.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.149247D+03 -0.502022D+01 -0.287034D+01
      2  -0.502022D+01  0.114528D+03  0.129429D+01
      3  -0.287034D+01  0.129429D+01  0.103034D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.505663D+01  0.876949D+00  0.210030D+01
      2   0.267280D+02 -0.539858D+01  0.943960D+01
      3  -0.191075D+02  0.100844D+02  0.824164D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.406396D+02 -0.127279D+02  0.851387D+01
      2   0.463313D+01  0.106354D+02 -0.187142D+02
      3   0.360065D+02  0.209251D+01  0.102003D+02
      4  -0.362717D+02 -0.219414D+02 -0.892530D+01
      5   0.180237D+02 -0.116261D+02  0.328412D+02
      6   0.377893D+01 -0.169025D+01 -0.875768D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.233745D+02 -0.662122D+00 -0.107782D+01 -0.295428D+01 -0.162113D+01
      2  -0.662122D+00  0.205956D+00 -0.152243D+00 -0.162113D+01 -0.580169D+01
      3  -0.107782D+01 -0.152243D+00 -0.409674D+01  0.510205D+00 -0.107830D+01
                 6             7             8             9            10 
      1   0.510205D+00 -0.513904D+01 -0.216949D+01 -0.542897D+01 -0.316020D+01
      2  -0.107830D+01 -0.216949D+01  0.488108D+00  0.145400D+01  0.227334D+01
      3   0.732956D+00 -0.542897D+01  0.145400D+01  0.301349D+01 -0.567476D-01
                11            12            13            14            15 
      1   0.227334D+01 -0.567476D-01 -0.308882D+00 -0.224613D+01  0.666113D+00
      2  -0.123211D+01  0.270772D+01 -0.224613D+01  0.535478D+01  0.148051D+01
      3   0.270772D+01 -0.198426D+01  0.666113D+00  0.148051D+01  0.462523D+00
                16            17            18            19            20 
      1  -0.999298D+00  0.418486D+01 -0.113776D+01  0.271623D+02 -0.383670D+01
      2   0.418486D+01  0.229504D+01  0.807896D-01 -0.383670D+01  0.471284D+01
      3  -0.113776D+01  0.807896D-01  0.148578D+01 -0.228615D+01 -0.249435D+00
                21            22            23            24            25 
      1  -0.228615D+01 -0.610068D+01  0.456937D+01  0.750280D+00 -0.653486D+01
      2  -0.249435D+00  0.456937D+01  0.392012D+01  0.286676D+00 -0.152465D+00
      3   0.219395D+01  0.750280D+00  0.286676D+00 -0.247678D+01  0.390624D+01
                26            27            28            29            30 
      1  -0.152465D+00  0.390624D+01 -0.232834D+02  0.451922D+01  0.280894D+01
      2  -0.578332D+00 -0.297112D+01  0.451922D+01 -0.384426D+01 -0.743078D+00
      3  -0.297112D+01 -0.414504D+01  0.280894D+01 -0.743078D+00 -0.351614D+01
                31            32            33            34            35 
      1   0.984380D+01 -0.631415D+01 -0.584401D+00  0.745562D+01 -0.125868D+01
      2  -0.631415D+01  0.151361D+01  0.824809D-01 -0.125868D+01  0.977030D+00
      3  -0.584401D+00  0.824809D-01  0.224320D+01 -0.461198D+01  0.858883D+00
                36            37            38            39            40 
      1  -0.461198D+01  0.128337D+02 -0.286606D+01 -0.118404D+00 -0.313815D+01
      2   0.858883D+00 -0.286606D+01 -0.498192D-01 -0.484988D+00  0.146795D+01
      3   0.240529D+01 -0.118404D+00 -0.484988D+00  0.282404D+01 -0.518049D+00
                41            42            43            44            45 
      1   0.146795D+01 -0.518049D+00 -0.474665D+00 -0.206906D+00  0.634564D+01
      2   0.645751D+01  0.135266D+01 -0.206906D+00  0.160476D+01 -0.127048D+01
      3   0.135266D+01 -0.148287D+01  0.634564D+01 -0.127048D+01 -0.495531D+01
                46            47            48            49            50 
      1  -0.473906D+00 -0.330738D+01 -0.188718D+01 -0.518277D+01  0.497990D+01
      2  -0.330738D+01  0.197191D+01  0.110495D+00  0.497990D+01 -0.140610D+01
      3  -0.188718D+01  0.110495D+00  0.265081D+01 -0.285899D+00  0.754500D+00
                51            52            53            54            55 
      1  -0.285899D+00 -0.209217D+01 -0.775128D+00  0.465239D+01  0.209734D+01
      2   0.754500D+00 -0.775128D+00  0.243335D+01 -0.352483D+01  0.123833D+01
      3  -0.244973D+01  0.465239D+01 -0.352483D+01  0.212921D+01  0.946078D+00
                56            57            58            59            60 
      1   0.123833D+01  0.946078D+00  0.166189D+01 -0.816431D+00 -0.149589D+00
      2  -0.235277D+00  0.166575D+00 -0.816431D+00 -0.763722D+01 -0.158076D+00
      3   0.166575D+00 -0.928628D+00 -0.149589D+00 -0.158076D+00  0.121873D+01
                61            62            63            64            65 
      1   0.134621D+01  0.348185D+00 -0.105782D+01  0.143479D+02 -0.127310D+01
      2   0.348185D+00  0.362732D+00  0.402820D+00 -0.127310D+01  0.207799D+01
      3  -0.105782D+01  0.402820D+00 -0.532921D+01  0.413791D+01 -0.641290D+00
                66            67            68            69            70 
      1   0.413791D+01  0.201225D+01  0.580384D+01  0.637560D+00  0.122625D+02
      2  -0.641290D+00  0.580384D+01 -0.404905D+01  0.107296D+01 -0.181716D+00
      3   0.306944D+01  0.637560D+00  0.107296D+01  0.766735D+00  0.445727D+01
                71            72            73            74            75 
      1  -0.181716D+00  0.445727D+01  0.436729D+01 -0.104725D+01 -0.189817D+01
      2   0.523281D+00  0.935349D+00 -0.104725D+01  0.396045D+00  0.497863D+00
      3   0.935349D+00 -0.996371D+00 -0.189817D+01  0.497863D+00  0.248543D+01
                76            77            78            79            80 
      1  -0.301361D+01  0.283085D+00  0.308722D+00 -0.251105D+01  0.601905D+00
      2   0.283085D+00 -0.736985D+00 -0.140817D+01  0.601905D+00 -0.188817D+01
      3   0.308722D+00 -0.140817D+01 -0.225998D+01  0.305350D+01 -0.257476D+01
                81            82            83            84            85 
      1   0.305350D+01  0.297253D+01  0.145518D+01 -0.124671D+01  0.119613D+01
      2  -0.257476D+01  0.145518D+01  0.186154D+01 -0.149559D+01  0.144471D+01
      3  -0.820197D+01 -0.124671D+01 -0.149559D+01  0.186397D+01 -0.130477D+01
                86            87            88            89            90 
      1   0.144471D+01 -0.130477D+01 -0.203468D+01 -0.175090D+01  0.149132D+01
      2   0.419800D+01 -0.230078D+01 -0.175090D+01 -0.268031D+01  0.208201D+01
      3  -0.230078D+01  0.208207D+01  0.149132D+01  0.208201D+01 -0.282355D+01
                91            92            93            94            95 
      1   0.188490D+00 -0.146296D+01 -0.613133D+00 -0.187711D+01 -0.133130D+01
      2  -0.146296D+01 -0.104939D+01  0.127876D+00 -0.133130D+01 -0.103064D+02
      3  -0.613133D+00  0.127876D+00  0.214295D+00 -0.466545D-01 -0.172701D+01
                96            97            98            99           100 
      1  -0.466545D-01 -0.212303D+01  0.260799D+00 -0.599208D+00 -0.545528D+00
      2  -0.172701D+01  0.260799D+00 -0.806311D+00 -0.503812D+00 -0.612735D+00
      3  -0.125105D+01 -0.599208D+00 -0.503812D+00 -0.109622D+00 -0.348976D+00
               101           102           103           104           105 
      1  -0.612735D+00 -0.348976D+00 -0.296870D+01 -0.325033D+01 -0.607239D-01
      2  -0.354307D+00 -0.471878D-01 -0.325033D+01 -0.835476D+01 -0.476175D+00
      3  -0.471878D-01 -0.232201D+00 -0.607239D-01 -0.476175D+00 -0.116274D+01
               106           107           108           109           110 
      1  -0.910114D+00 -0.436417D+00 -0.782400D+00 -0.112885D+02  0.127115D+01
      2  -0.436417D+00 -0.105160D+01 -0.875317D+00  0.127115D+01 -0.118093D+01
      3  -0.782400D+00 -0.875317D+00 -0.502038D-01 -0.211163D+01  0.605439D+00
               111           112           113           114           115 
      1  -0.211163D+01  0.515240D+01 -0.152573D+01  0.654287D+00 -0.522480D+01
      2   0.605439D+00 -0.152573D+01  0.775259D+00 -0.848321D+00  0.590778D+00
      3  -0.181502D+01  0.654287D+00 -0.848321D+00  0.102640D+01 -0.318594D+01
               116           117           118           119           120 
      1   0.590778D+00 -0.318594D+01 -0.478944D+01  0.144743D+00  0.190823D+01
      2  -0.120714D+01  0.709910D+00  0.144743D+00 -0.202717D+00  0.726987D-01
      3   0.709910D+00 -0.125526D+01  0.190823D+01  0.726987D-01 -0.190071D+01
               121           122           123           124           125 
      1   0.237702D+01 -0.808297D+00 -0.660551D+00  0.595710D+01  0.592659D+00
      2  -0.808297D+00 -0.217701D+00  0.812024D+00  0.592659D+00  0.117503D+01
      3  -0.660551D+00  0.812024D+00  0.101319D+01 -0.512190D+01  0.324908D+00
               126           127           128           129           130 
      1  -0.512190D+01 -0.544445D+01  0.254697D+01  0.245778D+01  0.235536D+01
      2   0.324908D+00  0.254697D+01 -0.241766D+01 -0.102166D+01 -0.207402D+01
      3   0.732702D+01  0.245778D+01 -0.102166D+01 -0.182822D+01 -0.834748D+00
               131           132           133           134           135 
      1  -0.207402D+01 -0.834748D+00  0.405970D+01 -0.145147D+01 -0.292710D+01
      2   0.194237D+01  0.112547D+01 -0.145147D+01  0.178024D+01  0.214573D+01
      3   0.112547D+01  0.126003D+01 -0.292710D+01  0.214573D+01  0.255209D+01
               136           137           138           139           140 
      1  -0.231398D+01  0.206166D+01 -0.106683D+01  0.206763D+01 -0.219869D+01
      2   0.206166D+01 -0.171404D+01  0.677453D+00 -0.219869D+01  0.370257D+01
      3  -0.106683D+01  0.677453D+00 -0.122679D+01  0.100365D+01 -0.210134D+01
               141           142           143           144           145 
      1   0.100365D+01 -0.291485D+01  0.221498D+01 -0.309751D+01  0.362403D-02
      2  -0.210134D+01  0.221498D+01 -0.452839D+01  0.320797D+01 -0.169695D+00
      3   0.183555D+01 -0.309751D+01  0.320797D+01 -0.470421D+01  0.622497D+00
               146           147           148           149           150 
      1  -0.169695D+00  0.622497D+00 -0.748871D+00  0.473407D+00 -0.207515D+00
      2   0.243496D+00  0.179605D-01  0.473407D+00  0.398693D+00  0.871338D+00
      3   0.179605D-01  0.537349D+00 -0.207515D+00  0.871338D+00 -0.654501D+00
               151           152           153           154           155 
      1   0.166425D+01 -0.394624D+00  0.651108D+00  0.282945D+00  0.115730D+01
      2  -0.394624D+00  0.164195D+01  0.112065D+01  0.115730D+01  0.597017D+00
      3   0.651108D+00  0.112065D+01  0.703784D+01 -0.110991D+00  0.684240D-01
               156           157           158           159           160 
      1  -0.110991D+00  0.125737D+01  0.347787D+00  0.707973D-01 -0.487353D+00
      2   0.684240D-01  0.347787D+00  0.121716D+02  0.544360D+00  0.600001D-01
      3   0.208416D+00  0.707973D-01  0.544360D+00  0.906847D+00  0.130776D+00
               161           162           163           164           165 
      1   0.600001D-01  0.130776D+00  0.412093D+01  0.284674D+00 -0.314711D+01
      2  -0.102843D+01  0.111223D+01  0.284674D+00 -0.323878D+01 -0.624425D+00
      3   0.111223D+01  0.373019D+00 -0.314711D+01 -0.624425D+00 -0.179414D+01
               166           167           168           169           170 
      1  -0.984730D-01 -0.469020D+01 -0.852440D+00 -0.438967D+01 -0.612425D+00
      2  -0.469020D+01  0.557625D+01 -0.326968D+01 -0.612425D+00 -0.196779D+01
      3  -0.852440D+00 -0.326968D+01 -0.311410D+01 -0.279016D+01 -0.251461D+01
               171           172           173           174           175 
      1  -0.279016D+01 -0.371461D+01 -0.635632D+00 -0.334637D+01 -0.139348D+01
      2  -0.251461D+01 -0.635632D+00 -0.378377D+01 -0.972407D+00 -0.610878D+01
      3  -0.826702D+00 -0.334637D+01 -0.972407D+00 -0.132040D+01 -0.141986D+01
               176           177           178           179           180 
      1  -0.610878D+01 -0.141986D+01 -0.394888D+01 -0.145291D+01 -0.252327D+01
      2   0.512115D+01 -0.168551D+00 -0.145291D+01 -0.620176D+00 -0.285478D+01
      3  -0.168551D+00 -0.283728D+01 -0.252327D+01 -0.285478D+01  0.482986D+01
               181           182           183           184           185 
      1  -0.597341D+01 -0.262274D+00  0.113051D+01 -0.448837D+00 -0.109947D+00
      2  -0.262274D+00 -0.853700D+00  0.686205D+00 -0.109947D+00 -0.732710D+00
      3   0.113051D+01  0.686205D+00 -0.268383D+01  0.306902D+00  0.646621D+00
               186           187           188           189           190 
      1   0.306902D+00  0.103476D+01  0.337164D+00 -0.120646D+01  0.285650D+01
      2   0.646621D+00  0.337164D+00  0.641955D+00  0.741638D-01  0.725754D+00
      3   0.124970D+00 -0.120646D+01  0.741638D-01  0.148805D+01  0.270554D+01
               191           192           193           194           195 
      1   0.725754D+00  0.270554D+01  0.215513D+01  0.162765D+01  0.190504D+01
      2   0.136117D+01  0.647638D+00  0.162765D+01  0.128477D+01  0.188289D+01
      3   0.647638D+00  0.318120D+01  0.190504D+01  0.188289D+01  0.379335D+01
               196           197           198           199           200 
      1   0.213629D+01  0.789459D+00  0.287007D+01  0.168902D+01 -0.182187D+01
      2   0.789459D+00  0.137858D+01  0.154912D+01 -0.182187D+01  0.241909D+01
      3   0.287007D+01  0.154912D+01  0.549585D+01  0.126842D+01 -0.805042D+00
               201           202           203           204           205 
      1   0.126842D+01 -0.256283D+01  0.330283D+01 -0.110420D+01  0.482977D+00
      2  -0.805042D+00  0.330283D+01 -0.779630D+01  0.295115D+01 -0.236114D+00
      3   0.137049D+01 -0.110420D+01  0.295115D+01 -0.219209D+01  0.853437D+00
               206           207           208           209           210 
      1  -0.236114D+00  0.853437D+00  0.459180D+00  0.479404D+00 -0.808388D+00
      2   0.938555D+00 -0.946405D+00  0.479404D+00  0.448880D+00 -0.460641D-01
      3  -0.946405D+00  0.978231D+00 -0.808388D+00 -0.460641D-01  0.828621D+00
               211           212           213           214           215 
      1   0.131199D+01  0.102453D+01 -0.545116D+00 -0.299410D+01 -0.214559D+00
      2   0.102453D+01  0.388695D+00 -0.102861D+01 -0.214559D+00 -0.137316D+01
      3  -0.545116D+00 -0.102861D+01  0.197611D+01  0.273536D+01  0.147847D+01
               216           217           218           219           220 
      1   0.273536D+01  0.351222D+01 -0.206908D+01  0.150354D+00 -0.537362D+01
      2   0.147847D+01 -0.206908D+01  0.219757D+01  0.142608D+00  0.484658D+01
      3  -0.705231D+01  0.150354D+00  0.142608D+00  0.413077D+00  0.615270D+00
               221           222           223           224           225 
      1   0.484658D+01  0.615270D+00  0.934407D+00  0.563336D-01  0.100937D+01
      2  -0.730378D+01 -0.237788D+00  0.563336D-01  0.139341D+00 -0.600582D+00
      3  -0.237788D+00 -0.112235D+01  0.100937D+01 -0.600582D+00 -0.345009D+00
               226           227           228           229           230 
      1   0.746788D+01  0.186914D+01  0.198833D+01  0.477934D+01  0.292348D+01
      2   0.186914D+01  0.166329D+01  0.754458D+00  0.292348D+01  0.153734D+01
      3   0.198833D+01  0.754458D+00  0.148597D+01  0.114570D+01  0.939154D+00
               231           232           233           234 
      1   0.114570D+01  0.544470D+01  0.125669D+01  0.231399D+01
      2   0.939154D+00  0.125669D+01  0.134983D+01  0.109969D+01
      3   0.156080D+01  0.231399D+01  0.109969D+01  0.167904D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.327339D+01 -0.993454D+00 -0.228339D+01 -0.154559D+01  0.695845D+01
      2  -0.321266D+02  0.370632D+00 -0.332162D+01 -0.332945D+01 -0.395327D+01
      3   0.320993D+02 -0.496302D+01  0.130835D+01  0.180479D+02  0.861348D+01
                 6             7             8             9            10 
      1   0.720618D+00  0.805186D+00  0.396462D+01  0.224323D+01  0.169940D+01
      2  -0.277096D+00 -0.212225D+02 -0.171909D+01 -0.516911D+01 -0.360524D+01
      3   0.274476D+01  0.110507D+02 -0.117490D+01  0.554632D+01 -0.681510D+01
                11            12            13            14            15 
      1  -0.279906D+01 -0.486428D+00 -0.202335D+00 -0.798717D+01 -0.434964D+01
      2   0.613512D+01  0.102080D+01 -0.611484D+00  0.142328D+01  0.177777D+01
      3  -0.243578D+01 -0.552000D+01  0.113130D+02 -0.133727D+02 -0.984746D-01
                16            17            18            19            20 
      1  -0.121950D+01  0.305525D+01 -0.235227D+01  0.305106D+00  0.114100D+00
      2  -0.468755D+01  0.641433D+01  0.191430D+01  0.261162D+02 -0.265134D+01
      3  -0.126747D+02  0.155283D+00 -0.291884D+01 -0.482697D+02  0.127689D+02
                21            22            23            24            25 
      1   0.461390D+01  0.250143D+01 -0.399207D+01 -0.325538D+01  0.939797D+01
      2  -0.410965D+01 -0.757267D+01  0.474530D+01  0.239083D+01 -0.250665D+02
      3   0.283149D+01  0.233552D+02 -0.651474D+01 -0.333026D+01  0.119688D+02
                26            27            28            29            30 
      1   0.917917D+00 -0.339383D+01  0.513747D+00  0.943332D+00 -0.333962D+01
      2   0.287376D+01  0.777340D+01 -0.259810D+02  0.310425D+01  0.720050D+01
      3  -0.392949D+01 -0.100197D+02  0.421041D+02 -0.169662D+02 -0.573965D+01
                31            32            33            34            35 
      1   0.163678D+01  0.712231D+00  0.194322D+01 -0.738418D+01  0.101293D+02
      2   0.115486D+02 -0.356679D+01 -0.365437D+01  0.262264D+01 -0.243694D+01
      3  -0.187401D+02  0.902608D+01 -0.129916D+01 -0.155456D+02  0.177860D+01
                36            37            38            39            40 
      1   0.370869D+01 -0.881864D+00  0.214752D+00  0.106944D+01  0.746573D+00
      2  -0.587731D+01 -0.202341D+01  0.255485D+01 -0.912671D+01  0.380705D+01
      3   0.755372D+01 -0.233162D+02  0.121070D+01 -0.152719D+01  0.130209D+02
                41            42            43            44            45 
      1   0.316343D+01 -0.273822D+01  0.583161D+01  0.653714D+00 -0.499375D+01
      2  -0.565537D+01  0.563375D+01 -0.333885D+02  0.548435D+01  0.208142D+02
      3   0.232632D+02  0.572038D+01 -0.288928D+01  0.690053D+01 -0.114286D+02
                46            47            48            49            50 
      1   0.328918D+01  0.280699D+00 -0.448363D+01  0.200958D+01 -0.206486D+01
      2   0.667036D+01 -0.197137D+01 -0.455436D+01 -0.179373D+01 -0.267697D+00
      3  -0.898062D+01 -0.553846D+01 -0.442989D+01  0.104600D+02 -0.573594D+01
                51            52            53            54            55 
      1   0.248784D+01 -0.119374D+02  0.120615D+02 -0.218909D+01 -0.182778D+01
      2   0.505563D+01 -0.150707D+02  0.822716D+01 -0.270659D+01 -0.305435D+01
      3   0.288980D+01 -0.668477D+01  0.838378D+01 -0.268233D+01  0.928901D+01
                56            57            58            59            60 
      1  -0.100302D+01  0.232141D+01  0.419145D+00 -0.738433D+01 -0.508478D+01
      2  -0.279914D+00  0.153979D+01 -0.239355D+01  0.132165D+01 -0.564591D+00
      3   0.552300D+01  0.389503D+01  0.114118D+02 -0.526238D+01  0.483882D+00
                61            62            63            64            65 
      1   0.298051D+01  0.297896D+01  0.127517D+02 -0.699375D+00  0.261777D+01
      2  -0.138329D+01 -0.124936D+01  0.274701D+01  0.272541D+02 -0.207951D+01
      3   0.372842D+01 -0.375916D-01 -0.108418D+01 -0.819174D+01 -0.104096D+02
                66            67            68            69            70 
      1   0.206399D+01 -0.481909D+01  0.264265D+01 -0.417545D+01 -0.227550D+01
      2   0.117829D+02  0.609691D+01  0.404575D+01  0.322469D+01  0.102053D+02
      3  -0.353262D+00 -0.150025D+02  0.847822D+01 -0.230143D+01 -0.988678D+01
                71            72            73            74            75 
      1   0.525187D+01 -0.136054D-02 -0.168651D+01 -0.459275D+00  0.144917D+01
      2   0.398353D+01 -0.983798D-01  0.542150D+01 -0.926271D+00  0.112013D+01
      3  -0.190897D+01 -0.593952D+01 -0.430905D+01 -0.114819D+01  0.942436D+00
                76            77            78            79            80 
      1   0.405153D+00  0.711131D-01 -0.937401D+00  0.209984D+01  0.373929D+01
      2  -0.404557D+01 -0.842222D+00 -0.141746D+01 -0.352540D+01 -0.908633D+00
      3   0.773458D+01 -0.465941D+00  0.277074D+00  0.153440D+01  0.186014D+01
                81            82            83            84            85 
      1  -0.248961D+01  0.549683D+00 -0.807412D-01 -0.189170D+01  0.429876D+00
      2  -0.236133D+01  0.229155D+01 -0.925279D+00  0.238453D+01 -0.361237D+00
      3  -0.907480D+00  0.139427D+01 -0.240325D+01  0.179299D+00  0.381143D+01
                86            87            88            89            90 
      1  -0.130444D+01 -0.301901D+01 -0.908186D+00  0.856641D+00  0.276439D+01
      2  -0.110526D+01  0.134045D+01 -0.226832D+01  0.369569D-01 -0.216513D+01
      3  -0.400831D+01  0.115053D+01 -0.642956D+00  0.209523D+01  0.171151D-01
                91            92            93            94            95 
      1  -0.780595D+00  0.123487D+01 -0.440611D+00  0.104928D+01  0.619952D+01
      2   0.362220D+00 -0.123637D+01 -0.999668D-01 -0.178430D+01 -0.680912D+00
      3  -0.421459D+00 -0.276688D+00  0.900822D+00  0.497206D+01 -0.759457D+01
                96            97            98            99           100 
      1  -0.458805D+01 -0.379875D+01  0.120419D+01  0.951145D+00 -0.737063D+00
      2   0.169314D+01 -0.251939D+01  0.782409D-01 -0.729539D+00  0.130184D+01
      3  -0.948552D+00  0.595545D+01 -0.904532D+00  0.387960D+00 -0.282162D+01
               101           102           103           104           105 
      1  -0.513564D+00 -0.118249D+00 -0.495599D+00 -0.214538D+01 -0.429350D+01
      2   0.369760D+00  0.146206D+01  0.160846D+00  0.167505D+01  0.462873D+01
      3  -0.237633D+01  0.377448D+00 -0.439024D+01 -0.271624D+02 -0.196056D+01
               106           107           108           109           110 
      1  -0.115092D+00 -0.974709D-01 -0.496440D+00 -0.115863D+00  0.867919D+00
      2   0.128586D+01  0.224112D+01  0.299251D-01  0.818170D+01 -0.216308D+01
      3  -0.158717D+00 -0.339007D+01 -0.170444D+01  0.151404D+02 -0.821322D+01
               111           112           113           114           115 
      1  -0.107011D+01  0.289597D+00 -0.919088D+00 -0.199610D+00 -0.120782D+01
      2   0.946516D+01 -0.348164D+01  0.302605D+01 -0.442498D+01  0.113038D+02
      3   0.428135D+01 -0.828044D+01  0.441271D+01 -0.366118D+01  0.663192D+01
               116           117           118           119           120 
      1   0.156673D+01 -0.741059D+00  0.206311D+01 -0.660222D+00 -0.175972D+01
      2  -0.285367D+01  0.500607D+01 -0.653535D+01 -0.652476D+00  0.811742D+01
      3  -0.622232D+01  0.537687D+01  0.626281D+01 -0.226819D+01 -0.203867D+01
               121           122           123           124           125 
      1  -0.919568D+00  0.943456D+00  0.414537D+00 -0.327340D+01  0.337434D+01
      2   0.201617D+01 -0.258277D+01 -0.396094D+01  0.172797D+02 -0.129730D+01
      3  -0.258685D+01  0.301530D-01  0.283691D+01 -0.423825D+01  0.517197D+01
               126           127           128           129           130 
      1   0.688190D+01 -0.445864D+01  0.102656D+01  0.396760D+01  0.976778D+00
      2  -0.280421D+02 -0.510063D+01  0.309519D+01  0.605073D+01  0.191314D+01
      3   0.637974D+01 -0.380707D+01 -0.507395D+01  0.135932D+01  0.937580D+00
               131           132           133           134           135 
      1  -0.140378D+01 -0.303969D+01  0.502707D+01 -0.140084D+01 -0.451023D+01
      2  -0.265605D+01 -0.355117D+01  0.412451D+01 -0.493646D+01 -0.660858D+01
      3   0.780277D+00  0.760240D+00  0.526731D+01  0.241850D+01  0.275904D+00
               136           137           138           139           140 
      1   0.167707D+01 -0.109083D+01  0.228105D+01 -0.123205D+01  0.206511D+01
      2   0.130600D+01 -0.623160D+00  0.390288D+01 -0.262534D+00  0.318888D+01
      3   0.133875D+01 -0.186175D+01  0.391949D+00 -0.500147D+00  0.697898D+01
               141           142           143           144           145 
      1  -0.472901D+01  0.607507D+01 -0.419958D+01  0.809394D+01 -0.244963D+01
      2  -0.408530D+01  0.413791D+01 -0.605428D+01  0.918372D+01 -0.489570D+00
      3  -0.293133D+01  0.346994D+00 -0.961804D+01  0.325928D+01 -0.135973D+00
               146           147           148           149           150 
      1   0.108419D+01 -0.180775D+01  0.128542D+01 -0.163614D+01  0.186038D+01
      2   0.438430D+00 -0.280626D-02  0.196084D+01 -0.162925D+01  0.923871D+00
      3  -0.286065D+01  0.157624D+01 -0.195477D+01  0.696487D+00  0.114023D+00
               151           152           153           154           155 
      1  -0.226884D+01  0.226190D+01 -0.157371D+02  0.928042D+00  0.368676D+00
      2  -0.445938D+01  0.154700D+00 -0.353675D+01  0.694115D+00 -0.543975D+00
      3   0.487382D+01 -0.672682D+00  0.128599D+01  0.706938D+00  0.107036D+01
               156           157           158           159           160 
      1  -0.623028D+00 -0.167293D+00  0.475063D+01 -0.486200D+01 -0.688650D+00
      2   0.966967D+00 -0.134783D+01 -0.854062D+00 -0.323215D+00 -0.650851D+00
      3  -0.812410D+00  0.755983D+01  0.541159D+01  0.254772D+00 -0.145262D+01
               161           162           163           164           165 
      1  -0.136890D+01 -0.378008D+00 -0.146564D+01 -0.710566D+01 -0.268436D+01
      2  -0.354365D+00 -0.558772D+00 -0.170313D+02 -0.250375D+01  0.721299D+01
      3  -0.747274D+00  0.114151D+01 -0.416918D+01  0.343355D+01  0.413846D+01
               166           167           168           169           170 
      1  -0.107728D+02  0.844479D+01 -0.120882D+02 -0.357348D+01 -0.538881D+01
      2  -0.387002D+01  0.131177D+01 -0.352448D+01 -0.329701D+00 -0.298076D+01
      3   0.107681D+02 -0.707411D+01  0.633169D+01  0.507866D+01  0.476431D+01
               171           172           173           174           175 
      1  -0.671087D+01 -0.112611D+01  0.101667D+01 -0.579115D+00  0.257561D+01
      2   0.431532D+00 -0.143086D+02 -0.375259D+01 -0.659309D+01 -0.532462D+01
      3   0.672886D+01  0.515932D+01  0.143291D+02  0.477325D+01  0.287838D+02
               176           177           178           179           180 
      1  -0.268114D+01 -0.257121D+01 -0.423621D+00  0.112888D+01  0.325375D+01
      2  -0.465060D+01 -0.114839D+02 -0.165153D+02 -0.110090D+02  0.170895D+02
      3  -0.171070D+02  0.124770D+01  0.725579D+01  0.201164D+01  0.117154D+02
               181           182           183           184           185 
      1  -0.297807D-01 -0.266759D+01 -0.147492D+01 -0.127400D+01  0.155673D+00
      2   0.199482D+02  0.920301D+00 -0.402342D+01  0.105110D+01  0.163396D+01
      3   0.701218D+01 -0.442708D+00 -0.132952D+01  0.232872D+01  0.738704D+00
               186           187           188           189           190 
      1  -0.125065D-01 -0.121650D+01  0.221420D+01  0.799575D+00  0.386171D+01
      2  -0.336671D+00 -0.589438D+01 -0.515944D+00  0.386480D+01  0.642016D+00
      3  -0.678016D+00 -0.767326D+00 -0.103641D+00  0.112591D+01 -0.294111D+01
               191           192           193           194           195 
      1   0.444719D+01  0.362920D+01  0.458301D+01  0.544775D+01  0.513342D+01
      2  -0.303577D+00  0.346411D+01 -0.123410D+01  0.141349D+01  0.487329D+01
      3  -0.409561D+01 -0.321539D+01 -0.301193D+01 -0.410240D+01 -0.464371D+01
               196           197           198           199           200 
      1   0.428001D+01  0.622455D+01  0.727460D+01 -0.230136D+01  0.451339D+01
      2  -0.234723D+01  0.126067D+01  0.606443D+01 -0.434473D+00  0.106882D+01
      3  -0.203760D+01 -0.404487D+01 -0.470500D+01  0.158768D+01 -0.429509D+01
               201           202           203           204           205 
      1   0.103885D+01  0.568583D+01 -0.129693D+02  0.521023D+00  0.201745D-01
      2   0.206227D+01  0.348744D+01  0.662123D+00 -0.349859D+01 -0.705485D+00
      3   0.866134D+00 -0.745548D+00  0.116618D+02 -0.435536D+01 -0.409177D+00
               206           207           208           209           210 
      1   0.245213D+01 -0.865002D+00 -0.646802D+00 -0.378294D+00  0.373507D+00
      2  -0.582010D+00  0.636249D+00 -0.333759D+01  0.426152D-01  0.363044D+01
      3  -0.125595D+01  0.765043D+00 -0.179937D+01 -0.204199D+01  0.734127D+00
               211           212           213           214           215 
      1  -0.378040D+00 -0.112512D+01  0.132451D+00  0.740070D+00  0.411637D+01
      2  -0.219640D+00 -0.253149D+01  0.694537D+01  0.363800D+01  0.537596D+01
      3  -0.220046D+01 -0.194067D+01  0.355637D+01  0.115112D+01  0.571369D+01
               216           217           218           219           220 
      1  -0.262844D+01  0.910927D+00 -0.101762D+01  0.842439D+00 -0.112309D+01
      2  -0.233708D+02  0.207190D+01 -0.498748D+00  0.312403D+01 -0.409418D+00
      3  -0.638677D+01  0.583333D+01 -0.889288D+01 -0.698454D+00 -0.119868D+02
               221           222           223           224           225 
      1   0.326399D+01 -0.334883D+01  0.277611D+00  0.528646D+00  0.628702D-01
      2   0.179112D+01 -0.492774D+01  0.231325D+01 -0.142164D+01 -0.806713D+00
      3   0.252469D+02  0.303786D+00 -0.134699D+01 -0.539439D+00  0.129613D+01
               226           227           228           229           230 
      1   0.135639D+00  0.392171D-01 -0.607912D+00 -0.230018D+00  0.146292D+00
      2   0.103318D+02  0.365914D+01  0.884114D+01  0.599972D+01  0.473733D+01
      3  -0.943933D+01 -0.903654D+01 -0.353855D+01 -0.104797D+02 -0.750882D+01
               231           232           233           234 
      1  -0.143828D+01  0.245480D+00  0.103907D+01 -0.651469D+00
      2   0.754298D+01  0.849796D+01  0.470000D+01  0.791025D+01
      3  -0.389815D+01 -0.610861D+01 -0.670390D+01 -0.507877D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.425070D+01  0.972838D+00 -0.743440D+01  0.414259D+01 -0.359749D+01
      2   0.101214D+02 -0.229953D+01 -0.168931D+01 -0.155533D+01  0.665106D+01
      3  -0.143721D+02  0.132669D+01  0.912371D+01 -0.258727D+01 -0.305357D+01
      4   0.149056D+02  0.280322D+01 -0.257498D+01 -0.121752D+01  0.380752D-01
      5   0.206336D+01 -0.351200D+01 -0.100523D+02  0.278963D+01 -0.145464D+01
      6  -0.912395D+00 -0.144095D+01  0.118028D+01  0.772097D-01  0.746620D+01
                 6             7             8             9            10 
      1   0.501237D+01 -0.239451D+02  0.657859D+00  0.925744D+01 -0.757719D+01
      2   0.228815D+00  0.938049D+00  0.350258D+01  0.734758D+01  0.527584D+01
      3  -0.524118D+01  0.230071D+02 -0.416044D+01 -0.166050D+02  0.230135D+01
      4  -0.112300D+01 -0.651730D+01  0.403926D+01  0.767743D+01  0.395702D+01
      5   0.229921D+01 -0.150384D+02  0.544971D+01  0.129091D+02  0.266330D+00
      6  -0.199943D+01  0.819156D+01 -0.226499D+01 -0.962415D+01  0.482231D+01
                11            12            13            14            15 
      1   0.711131D+01 -0.430105D+01  0.749805D+01 -0.108199D+02 -0.169483D+01
      2   0.698138D+00  0.478696D+01 -0.304409D+01  0.119423D+02  0.416654D+01
      3  -0.780945D+01 -0.485902D+00 -0.445396D+01 -0.112237D+01 -0.247171D+01
      4  -0.472878D+01  0.807487D+01 -0.755512D+01  0.609974D+00  0.710185D+01
      5   0.745221D+01 -0.479025D+01  0.163502D+01  0.486871D+01 -0.343811D+01
      6   0.440244D+01 -0.591019D+01  0.682876D+01  0.497870D+01 -0.327819D+01
                16            17            18            19            20 
      1  -0.656474D+01  0.633165D+01 -0.209072D+01 -0.503739D+02  0.133742D+02
      2   0.494029D+01 -0.142386D+01  0.167999D+01  0.177818D+02 -0.107543D+02
      3   0.162444D+01 -0.490779D+01  0.410729D+00  0.325921D+02 -0.261989D+01
      4   0.128433D+02  0.537988D+01 -0.446123D+01 -0.147799D+02 -0.886155D+01
      5  -0.573614D+01 -0.321663D+01  0.452404D+01 -0.173418D+01  0.156167D+01
      6  -0.584218D+01 -0.527752D+01  0.813227D+01  0.474689D+01 -0.118620D+01
                21            22            23            24            25 
      1   0.416878D+01  0.272577D+02  0.568167D+01 -0.297884D+01  0.180007D+02
      2   0.132544D+00 -0.224240D+02 -0.209190D+02 -0.350965D+01 -0.598172D+00
      3  -0.430132D+01 -0.483370D+01  0.152374D+02  0.648849D+01 -0.174025D+02
      4   0.199694D+01 -0.196921D+01 -0.120830D+02 -0.132043D+01  0.357631D+01
      5  -0.270778D+01 -0.566323D+01 -0.286514D+01  0.275365D+01  0.376168D+01
      6  -0.545518D+01 -0.528851D+01 -0.828140D+01  0.562059D+01 -0.113471D+02
                26            27            28            29            30 
      1  -0.330604D+01 -0.235137D+02  0.708147D+02 -0.225400D+02 -0.148726D+02
      2  -0.553567D+01 -0.174039D-01 -0.365411D+02  0.111583D+02  0.350765D+01
      3   0.884171D+01  0.235311D+02 -0.342735D+02  0.113816D+02  0.113650D+02
      4   0.470788D+01  0.238584D+01  0.372853D+01  0.651152D+01  0.116138D+01
      5   0.364460D+01  0.987240D+01 -0.234360D+01  0.339792D+01  0.113008D+02
      6   0.130254D+02  0.121411D+02 -0.452580D+01  0.700141D+01  0.539874D+01
                31            32            33            34            35 
      1  -0.228733D+02  0.815188D+01  0.262756D+01 -0.153975D+02  0.489275D+01
      2   0.907200D+01  0.655937D+01  0.167327D+01  0.522127D+01 -0.162677D+01
      3   0.138013D+02 -0.147113D+02 -0.430082D+01  0.101762D+02 -0.326599D+01
      4   0.150329D+02  0.119826D+01 -0.606458D+00  0.382273D+00  0.125798D+01
      5  -0.136742D+01  0.318277D+01 -0.566781D+01  0.237906D+02 -0.428633D+01
      6   0.584465D+01 -0.530617D+01 -0.376128D+01  0.531592D+01  0.314404D+01
                36            37            38            39            40 
      1   0.103356D+02 -0.649779D+02  0.221163D+02 -0.960699D+01  0.314039D+02
      2  -0.111561D+02  0.397841D+02 -0.123440D+02  0.241500D+01 -0.234103D+02
      3   0.820511D+00  0.251939D+02 -0.977233D+01  0.719199D+01 -0.799366D+01
      4  -0.642526D+00  0.976046D+01  0.220306D+01  0.415171D+01 -0.614327D+01
      5  -0.468319D+01 -0.130181D+02  0.404724D+01 -0.209147D+02  0.546234D+01
      6  -0.613578D+01  0.117365D+01 -0.653984D-01 -0.265649D+01 -0.908029D+00
                41            42            43            44            45 
      1   0.692369D+01  0.787116D+01 -0.169164D+02  0.729395D+01 -0.286990D+02
      2  -0.205219D+02 -0.511333D+01  0.271821D+00 -0.617319D+01  0.265792D+02
      3   0.135983D+02 -0.275784D+01  0.166446D+02 -0.112076D+01  0.211987D+01
      4  -0.390029D+02 -0.824619D+01  0.333116D+01 -0.920684D+01  0.350883D+01
      5  -0.104008D+02  0.109530D+02 -0.506318D+02  0.102429D+02  0.355717D+02
      6  -0.270251D+01  0.267340D+01 -0.722309D+01  0.186859D+01  0.697891D+01
                46            47            48            49            50 
      1   0.681186D+01  0.703081D+01  0.836610D+01  0.667719D+01 -0.121554D+02
      2  -0.444627D+01 -0.321274D+01 -0.360986D+01 -0.639998D+00  0.879488D+01
      3  -0.236559D+01 -0.381807D+01 -0.475625D+01 -0.603720D+01  0.336052D+01
      4   0.160519D+02 -0.148294D+02 -0.651705D+01 -0.249050D+02  0.882108D+01
      5   0.109918D+02 -0.496263D+01 -0.134377D+02  0.126447D+01 -0.408570D+01
      6  -0.869416D+01 -0.293234D+01  0.106813D+02 -0.555050D+01  0.976173D+01
                51            52            53            54            55 
      1  -0.116457D+01  0.789866D+01 -0.507023D+01 -0.593455D+01 -0.955402D+01
      2   0.234538D+01 -0.416502D+01  0.464398D+01  0.854988D+00  0.729652D+01
      3  -0.118080D+01 -0.373364D+01  0.426245D+00  0.507957D+01  0.225750D+01
      4  -0.169454D+01 -0.451515D+00 -0.981279D+01  0.226756D+02  0.243248D+00
      5   0.113477D+02 -0.251730D+02  0.198624D+02 -0.598910D+01 -0.101323D+01
      6  -0.109361D+02  0.204365D+02 -0.222778D+02  0.973054D+01  0.662376D+01
                56            57            58            59            60 
      1   0.199920D+01 -0.104752D+01 -0.248214D+01  0.299410D+02 -0.944289D+00
      2  -0.597831D+01  0.107027D+01 -0.206088D-01 -0.499460D+02 -0.184726D+01
      3   0.397911D+01 -0.227480D-01  0.250275D+01  0.200050D+02  0.279155D+01
      4  -0.400460D+00  0.264966D+01  0.627426D+01  0.445558D+01 -0.696799D+00
      5   0.197960D+01 -0.522908D-02 -0.953567D+00 -0.133826D+01 -0.111785D+00
      6   0.363470D+00 -0.182595D+01 -0.359413D+00 -0.400246D+01  0.420986D+01
                61            62            63            64            65 
      1  -0.149208D+01 -0.116147D+01  0.117564D+02  0.683685D+01 -0.331696D+01
      2   0.137435D+01  0.527934D+01  0.644414D+01 -0.101433D+02 -0.262562D+00
      3   0.117728D+00 -0.411787D+01 -0.182005D+02  0.330645D+01  0.357952D+01
      4  -0.107977D+01  0.910845D+00 -0.495085D+01 -0.820821D+01  0.840210D+01
      5   0.488897D+01 -0.186884D+01  0.440060D+00  0.161969D+02 -0.102243D+01
      6  -0.324631D+01  0.312745D+01 -0.170165D+02 -0.423845D+01  0.313057D+01
                66            67            68            69            70 
      1   0.153115D+02 -0.500766D+01  0.144869D+02 -0.547006D-01  0.216266D+02
      2  -0.964765D+01  0.575872D+00 -0.537035D+01 -0.149181D+01 -0.128869D+02
      3  -0.566383D+01  0.443178D+01 -0.911655D+01  0.154651D+01 -0.873965D+01
      4  -0.296399D+01  0.197771D+02 -0.159682D+02  0.301256D+01 -0.492626D+01
      5   0.102353D+02 -0.465910D-01  0.478346D+01  0.456156D+01  0.183894D+02
      6   0.108971D+01  0.625044D+00 -0.469353D+01  0.250252D+01 -0.291909D+01
                71            72            73            74            75 
      1  -0.684813D+00  0.368722D+01 -0.137507D+01  0.102152D-02  0.421626D+01
      2  -0.177731D+01 -0.814256D+01 -0.546191D+01  0.131314D+01  0.417867D+01
      3   0.246212D+01  0.445534D+01  0.683698D+01 -0.131416D+01 -0.839492D+01
      4   0.228469D+01  0.319578D+01 -0.646760D+01  0.484808D+01  0.387158D+01
      5   0.430870D+01 -0.517188D+01 -0.845275D+01  0.354497D+01  0.129249D+02
      6   0.354836D+01  0.131552D+01  0.439278D+01 -0.247356D+01 -0.401678D+01
                76            77            78            79            80 
      1   0.436885D+01 -0.693949D+01 -0.742620D+01  0.572705D+01 -0.736590D+01
      2  -0.718920D+00  0.148581D+01 -0.492159D+00  0.626443D+01 -0.229173D+01
      3  -0.364993D+01  0.545368D+01  0.791836D+01 -0.119915D+02  0.965762D+01
      4   0.440352D+01 -0.213851D+01 -0.399950D+01  0.523699D+01 -0.429096D+01
      5   0.400346D+01 -0.396875D+01 -0.472956D+01  0.141807D+02 -0.599866D+01
      6  -0.276375D+01  0.590585D+01  0.103177D+02 -0.460853D+01  0.104215D+02
                81            82            83            84            85 
      1  -0.262706D+02  0.642018D+01 -0.172059D+01  0.779041D+00 -0.834862D+00
      2  -0.145029D+02 -0.226415D+01  0.302922D+01 -0.324265D+00  0.293396D+01
      3   0.407734D+02 -0.415603D+01 -0.130863D+01 -0.454776D+00 -0.209910D+01
      4  -0.756154D+01  0.112194D+02  0.127140D+02 -0.828543D+01  0.112981D+02
      5  -0.193771D+02 -0.712569D+01 -0.670021D+01  0.890506D+01 -0.563285D+01
      6   0.166450D+02 -0.768353D+01 -0.689387D+01  0.692147D+01 -0.708336D+01
                86            87            88            89            90 
      1  -0.107269D+02  0.508490D+01 -0.282026D+00  0.503122D+01 -0.668479D+01
      2   0.139098D+02 -0.484657D+01  0.235200D+00 -0.468697D+01  0.137355D+00
      3  -0.318290D+01 -0.238329D+00  0.468265D-01 -0.344253D+00  0.654743D+01
      4   0.162155D+02 -0.931744D+01 -0.877039D+01 -0.985036D+01  0.986202D+01
      5  -0.747613D+01  0.612123D+01  0.788524D+01  0.723041D+01 -0.938664D+01
      6  -0.149676D+02  0.130618D+02  0.764426D+01  0.133786D+02 -0.135450D+02
                91            92            93            94            95 
      1  -0.251501D+01  0.560291D+00  0.179075D+01  0.174424D+01 -0.330456D+02
      2   0.393615D+01  0.318062D+01 -0.580289D+00  0.221059D+01  0.480890D+02
      3  -0.142114D+01 -0.374091D+01 -0.121046D+01 -0.395483D+01 -0.150434D+02
      4   0.297440D+01  0.100771D+02  0.134539D+01  0.963144D+01  0.201582D+02
      5   0.105799D+01  0.177602D+01  0.172859D+01  0.243229D+01  0.528179D+01
      6   0.363050D+01  0.184197D-01  0.537594D-01  0.137227D+01  0.160126D+02
                96            97            98            99           100 
      1  -0.700311D+01  0.349069D+01 -0.373930D+01 -0.120622D+01  0.454257D+01
      2   0.647083D+01 -0.322653D+01  0.406637D+01  0.284696D+01  0.425110D+00
      3   0.532288D+00 -0.264155D+00 -0.327068D+00 -0.164074D+01 -0.496768D+01
      4   0.335035D+01  0.142622D+01 -0.161879D+00  0.974198D+00  0.559223D+01
      5   0.362223D+01  0.237666D+01  0.125545D+01 -0.151003D+00  0.232052D+01
      6   0.100660D+02  0.323762D+01  0.499074D+01  0.162649D+01  0.690102D+00
               101           102           103           104           105 
      1   0.529876D+01  0.237089D+01  0.115853D+02 -0.686524D+01 -0.891136D+00
      2  -0.183333D+01 -0.972464D+00  0.319680D+01  0.308638D+02  0.188883D+01
      3  -0.346543D+01 -0.139843D+01 -0.147821D+02 -0.239985D+02 -0.997697D+00
      4   0.882937D+01  0.797316D+00  0.277106D+02  0.562239D+02  0.361492D+01
      5   0.131526D+00  0.299030D+01  0.732686D+00  0.460861D+01  0.873685D+01
      6   0.117443D+00  0.195627D+00  0.439318D+00  0.144763D+00  0.710269D+01
               106           107           108           109           110 
      1   0.490864D+01 -0.973842D+00  0.325231D+00  0.851790D+02 -0.116719D+02
      2  -0.115674D+01  0.271909D+01  0.295792D+00 -0.463388D+02  0.777451D+01
      3  -0.375190D+01 -0.174525D+01 -0.621023D+00 -0.388402D+02  0.389743D+01
      4   0.365029D+01  0.737562D+01  0.541170D+01 -0.661296D+00  0.111663D+02
      5   0.684436D+01  0.521409D+01  0.281245D+00  0.257203D+02 -0.485157D+01
      6   0.224217D+01  0.647349D+01  0.158277D+01  0.983741D+00 -0.250956D+00
               111           112           113           114           115 
      1   0.185506D+02 -0.362122D+02  0.975670D+01 -0.586132D+01  0.403996D+02
      2  -0.106979D+02  0.206067D+02 -0.396323D+01  0.409379D+01 -0.223920D+02
      3  -0.785274D+01  0.156055D+02 -0.579347D+01  0.176753D+01 -0.180076D+02
      4  -0.245042D+01  0.107446D+02 -0.592088D+01  0.588149D+01 -0.991101D+00
      5   0.184999D+02 -0.938937D+01  0.704376D+01 -0.845968D+01  0.315235D+02
      6   0.228219D+01  0.148064D+01 -0.424713D+00  0.648453D+00  0.270563D+01
               116           117           118           119           120 
      1  -0.536351D+01  0.183399D+02  0.276962D+02 -0.212994D+01 -0.105994D+02
      2   0.465796D+01 -0.146939D+02 -0.186449D+02  0.160289D+01  0.846745D+01
      3   0.705549D+00 -0.364595D+01 -0.905127D+01  0.527045D+00  0.213200D+01
      4   0.901336D+01 -0.244212D+01  0.383348D+01  0.368736D+01 -0.240887D+01
      5  -0.585322D+01  0.127490D+02 -0.147788D+02 -0.422813D+00  0.192306D+02
      6   0.133791D+01  0.106888D+00 -0.293082D+01 -0.726159D+00  0.327432D+01
               121           122           123           124           125 
      1  -0.138037D+02  0.103264D+01  0.229153D+01 -0.252330D+02 -0.167297D+01
      2   0.101135D+02 -0.117308D+00 -0.381425D+01  0.226974D+02 -0.113861D+01
      3   0.369027D+01 -0.915336D+00  0.152272D+01  0.253566D+01  0.281158D+01
      4   0.554446D+01  0.167958D+01 -0.532424D+01 -0.921221D+01 -0.101081D+02
      5   0.468389D+01 -0.535393D+01 -0.714137D+01  0.435103D+02 -0.210974D+01
      6  -0.164321D+01  0.797070D-01  0.301993D+01  0.765295D+01  0.448164D+01
               126           127           128           129           130 
      1   0.150985D+02  0.218444D+02 -0.617402D+01 -0.893419D+01 -0.460749D+01
      2  -0.257568D+02 -0.904836D+01 -0.417225D+00  0.454610D+01 -0.189154D+01
      3   0.106583D+02 -0.127961D+02  0.659125D+01  0.438809D+01  0.649903D+01
      4   0.203239D+01 -0.229004D+02  0.180659D+02  0.964197D+01  0.153454D+02
      5  -0.543882D+02 -0.169747D+02  0.685156D+01  0.131474D+02  0.536035D+01
      6  -0.113194D+02  0.878509D+01 -0.461414D+01 -0.714026D+01 -0.452358D+01
               131           132           133           134           135 
      1   0.108170D+01  0.247931D+00 -0.125963D+02  0.566070D+00  0.324593D+01
      2   0.456839D+01  0.202211D+01  0.714794D+01  0.215809D+01 -0.423900D+01
      3  -0.565009D+01 -0.227005D+01  0.544836D+01 -0.272416D+01  0.993064D+00
      4  -0.137889D+02 -0.718679D+01  0.148683D+02 -0.124939D+02 -0.138983D+02
      5  -0.656147D+01 -0.669529D+01  0.185622D+02 -0.115326D+02 -0.153311D+02
      6   0.573639D+01  0.741493D+01 -0.111007D+02  0.108232D+02  0.928049D+01
               136           137           138           139           140 
      1   0.631238D+01 -0.478738D+01  0.291524D+01 -0.144225D+01 -0.525571D+01
      2  -0.238691D+01  0.752590D+00 -0.208887D+01 -0.284320D+01  0.996924D+01
      3  -0.392547D+01  0.403479D+01 -0.826367D+00  0.428545D+01 -0.471353D+01
      4  -0.135233D+02  0.130676D+02 -0.572812D+01  0.141757D+02 -0.164361D+02
      5   0.751729D+01 -0.479377D+01  0.988173D+01 -0.515625D+01  0.970995D+01
      6  -0.589314D+01  0.446508D+01 -0.549212D+01  0.690582D+01 -0.133331D+02
               141           142           143           144           145 
      1   0.289127D+01  0.508141D+01  0.560986D+01 -0.258623D+01  0.566972D+00
      2  -0.433156D+01 -0.270155D+01 -0.694393D+01 -0.306318D+01 -0.351834D+01
      3   0.144029D+01 -0.237986D+01  0.133407D+01  0.564941D+01  0.295137D+01
      4   0.101567D+02 -0.153274D+02  0.200858D+02 -0.174822D+02  0.397217D+00
      5  -0.840116D+01  0.182862D+02 -0.158328D+02  0.209574D+02  0.108135D+01
      6   0.131887D+02 -0.150542D+02  0.209636D+02 -0.217856D+02  0.716687D+00
               146           147           148           149           150 
      1  -0.905111D+00 -0.750992D+00  0.407795D+00 -0.422756D+01 -0.710585D+00
      2   0.161310D+01 -0.516290D+00  0.910170D+00  0.374747D+01  0.352076D+01
      3  -0.707994D+00  0.126728D+01 -0.131796D+01  0.480091D+00 -0.281018D+01
      4   0.264588D+01  0.162042D+01 -0.204693D+00  0.433435D+00  0.146172D-01
      5  -0.389778D+00  0.570239D+01 -0.177313D+00  0.329527D+00  0.106251D+00
      6   0.130168D+01  0.149752D+01  0.486072D+00  0.233527D+01  0.191575D+01
               151           152           153           154           155 
      1  -0.663203D+00 -0.779111D+01 -0.196412D+02 -0.133548D+01 -0.316902D+01
      2  -0.138490D+01  0.558410D+01 -0.870064D+01  0.610429D+01  0.469615D+01
      3   0.204811D+01  0.220702D+01  0.283418D+02 -0.476881D+01 -0.152714D+01
      4   0.379196D+01  0.347839D+00  0.245456D+01  0.162034D+00  0.102671D+02
      5   0.411628D+01 -0.567203D+00 -0.722807D+00  0.254655D+00  0.882400D+00
      6   0.118133D+01  0.931001D+01  0.230054D+02 -0.442684D+00  0.410043D+00
               156           157           158           159           160 
      1  -0.409470D+00 -0.166783D+01 -0.474083D+02 -0.281740D+01  0.456892D-02
      2  -0.133153D+00  0.145808D+01  0.787720D+02  0.301509D+01  0.159095D+00
      3   0.542622D+00  0.209745D+00 -0.313637D+02 -0.197686D+00 -0.163664D+00
      4  -0.126506D+00  0.808180D+01 -0.311174D+01 -0.809892D-01 -0.894541D+00
      5   0.159051D+01  0.299629D+00  0.776041D+00 -0.293928D+00  0.556346D+00
      6   0.862295D+00  0.342732D+00  0.717625D+01  0.841355D+01  0.600796D+00
               161           162           163           164           165 
      1   0.297044D+01 -0.602135D+01  0.208352D+02 -0.205797D+01 -0.629085D+01
      2  -0.551220D+01  0.547007D+01 -0.405316D+01  0.103749D+02  0.878554D+01
      3   0.254176D+01  0.551283D+00 -0.167820D+02 -0.831696D+01 -0.249469D+01
      4   0.849009D+00 -0.114770D+00 -0.529997D+01 -0.985365D+01  0.268668D+00
      5  -0.601135D+00  0.631576D-01 -0.357454D+01 -0.165586D+01 -0.147476D+02
      6   0.920089D+01  0.934614D+00  0.175767D+01 -0.111925D+02 -0.414095D+01
               166           167           168           169           170 
      1  -0.237124D+01 -0.118519D+01 -0.930309D+00 -0.788265D+01  0.643295D+00
      2   0.155103D+02 -0.663773D+01  0.158586D+02  0.109650D+02  0.117235D+02
      3  -0.131390D+02  0.782292D+01 -0.149283D+02 -0.308234D+01 -0.123668D+02
      4  -0.178760D+02  0.238117D+02 -0.133125D+02  0.572925D+00 -0.768107D+01
      5  -0.354962D+01 -0.199003D+02 -0.140670D+02 -0.222412D+02 -0.107240D+02
      6  -0.160245D+02  0.173759D+02 -0.961162D+01 -0.471817D+01 -0.635657D+01
               171           172           173           174           175 
      1  -0.102710D+02 -0.815744D+01 -0.102966D+02 -0.235845D+02 -0.161481D+02
      2   0.932721D+01  0.330632D-01  0.967653D+01  0.109095D+02  0.164410D+02
      3   0.943752D+00  0.812438D+01  0.620077D+00  0.126750D+02 -0.292969D+00
      4  -0.816016D+01 -0.884547D+01 -0.274032D+02 -0.684769D+01 -0.447268D+02
      5  -0.100028D+02 -0.257259D+02 -0.698769D+01 -0.984272D+01 -0.112745D+02
      6  -0.130607D+02 -0.165434D+00  0.232883D+01 -0.230670D+00  0.344564D+01
               176           177           178           179           180 
      1  -0.257140D+02 -0.105177D+02 -0.298272D+02 -0.108212D+02 -0.820023D+01
      2   0.414120D+01  0.255778D+01  0.107322D+02  0.206993D+01  0.135535D+02
      3   0.215728D+02  0.795994D+01  0.190950D+02  0.875128D+01 -0.535327D+01
      4   0.358365D+02 -0.270070D+01 -0.115215D+02 -0.425025D+01 -0.187324D+02
      5  -0.119670D+01 -0.183301D+02 -0.163657D+02 -0.181454D+02  0.293838D+02
      6  -0.434635D+01 -0.110612D+01 -0.150432D+01  0.165791D+01  0.136972D+01
               181           182           183           184           185 
      1  -0.133133D+02 -0.247164D+01  0.118342D+02 -0.418317D+00 -0.315826D+01
      2   0.426759D+01  0.147579D+00  0.147395D+01 -0.141267D+01  0.294888D+01
      3   0.904576D+01  0.232406D+01 -0.133082D+02  0.183099D+01  0.209373D+00
      4   0.798933D+01  0.103533D+01 -0.722850D+00  0.397571D+01 -0.150368D+01
      5  -0.122455D+02  0.199636D+00  0.227325D+01 -0.181892D+00  0.875956D+00
      6  -0.145955D+01 -0.446500D+01  0.564073D+01 -0.767760D+00 -0.276174D+01
               186           187           188           189           190 
      1   0.179715D+01  0.751667D+01  0.151554D+01 -0.628186D+01  0.757471D+01
      2  -0.238077D+01  0.191458D+00 -0.127303D+01 -0.332668D+01 -0.119780D+02
      3   0.583625D+00 -0.770813D+01 -0.242510D+00  0.960853D+01  0.440329D+01
      4   0.955767D+00 -0.954271D+00 -0.595535D+00  0.261129D+01  0.403225D+01
      5   0.226563D+01  0.708939D+01  0.156133D+01 -0.280275D+01  0.192762D+02
      6   0.358708D+01  0.314650D+01  0.323568D+01 -0.148830D+01  0.326524D+01
               191           192           193           194           195 
      1   0.302027D+01  0.263094D+01  0.524821D+01 -0.482844D+00 -0.325823D+01
      2  -0.531214D+01 -0.125798D+02 -0.964076D+01 -0.242832D+01 -0.117802D+02
      3   0.229186D+01  0.994889D+01  0.439254D+01  0.291116D+01  0.150385D+02
      4   0.674448D+01  0.256900D+01  0.813240D+01  0.535523D+01  0.775879D+01
      5   0.545137D+01  0.217049D+02  0.137349D+02  0.105861D+02  0.183373D+02
      6   0.618765D+01  0.310877D+01  0.752005D+01  0.736363D+01  0.100705D+02
               196           197           198           199           200 
      1   0.311284D+01 -0.144732D+01 -0.703612D+01  0.428421D+01 -0.292641D+01
      2  -0.125915D+02 -0.624962D+01 -0.203824D+02 -0.371073D+00 -0.343281D+01
      3   0.947863D+01  0.769694D+01  0.274185D+02 -0.391314D+01  0.635921D+01
      4   0.250718D+01  0.571527D+01  0.555095D+01 -0.116976D+02  0.151802D+02
      5   0.204429D+02  0.789511D+01  0.278243D+02  0.844049D+01 -0.723701D+01
      6   0.386607D+01  0.811359D+01  0.756115D+01 -0.639004D+01  0.936963D+01
               201           202           203           204           205 
      1  -0.940120D-02 -0.286570D+01 -0.113771D+02  0.731387D+01 -0.646147D+00
      2  -0.190128D+01 -0.533777D+01  0.236711D+02 -0.482955D+01 -0.180374D+01
      3   0.191068D+01  0.820347D+01 -0.122940D+02 -0.248432D+01  0.244989D+01
      4  -0.503805D+01  0.192442D+02 -0.320894D+02  0.114320D+02 -0.144810D+01
      5   0.924707D+01 -0.978754D+01  0.150218D+02 -0.981878D+01  0.607575D+01
      6  -0.439920D+01  0.120065D+02 -0.283931D+02  0.166925D+02 -0.316900D+01
               206           207           208           209           210 
      1   0.365658D+01 -0.252101D+01  0.483016D+01  0.340837D+01 -0.543358D+01
      2  -0.857558D+00 -0.149411D+00 -0.478387D+01 -0.228484D+01  0.432358D+01
      3  -0.279903D+01  0.267042D+01 -0.462925D-01 -0.112352D+01  0.111001D+01
      4   0.370018D+01 -0.421942D+01  0.322773D+01  0.411174D+01 -0.983839D+00
      5  -0.427571D+01  0.548515D+01 -0.633728D+01 -0.154576D+01  0.106650D+02
      6   0.987203D+01 -0.536988D+01 -0.795640D+00 -0.422546D+00  0.126071D+00
               211           212           213           214           215 
      1   0.788368D+01  0.209484D+01  0.704000D+00 -0.145625D+02  0.136267D+01
      2  -0.562796D+01 -0.975571D+00  0.286678D+01  0.127939D+02  0.212345D+01
      3  -0.225572D+01 -0.111927D+01 -0.357078D+01  0.176856D+01 -0.348612D+01
      4   0.836405D+01  0.247255D+01 -0.659859D+01 -0.157825D+01 -0.961003D+01
      5  -0.478868D+01 -0.634785D+01  0.131056D+02  0.235077D+02  0.959086D+01
      6  -0.180984D+01 -0.222569D+01  0.474142D+01  0.574931D+00  0.512122D+01
               216           217           218           219           220 
      1   0.131722D+01  0.228423D+02 -0.123597D+02  0.116177D+01 -0.265532D+02
      2  -0.183983D+02 -0.701931D+01  0.266869D+01 -0.458458D+00  0.422751D+01
      3   0.170811D+02 -0.158230D+02  0.969097D+01 -0.703314D+00  0.223257D+02
      4   0.982964D+01 -0.180577D+02  0.219125D+02  0.146527D+01  0.404824D+02
      5  -0.465139D+02 -0.621332D+00  0.234301D+01  0.533339D+01  0.634512D+01
      6  -0.154290D+01  0.177276D+01 -0.207557D+01 -0.919771D+00 -0.423656D+01
               221           222           223           224           225 
      1   0.129633D+02  0.227486D+01  0.521242D+01  0.679652D+00  0.288780D+01
      2   0.106982D+02 -0.174850D+01 -0.154667D+01 -0.815475D+00 -0.142130D+01
      3  -0.236615D+02 -0.526352D+00 -0.366576D+01  0.135823D+00 -0.146650D+01
      4  -0.537788D+02 -0.163711D+01  0.268778D+00  0.117870D+01 -0.410565D+01
      5  -0.277779D+01 -0.917380D+01  0.862767D+01 -0.459095D+01 -0.261046D+01
      6   0.665082D+01  0.614093D+01 -0.271595D+01  0.498103D+01  0.768735D-01
               226           227           228           229           230 
      1   0.565326D+02  0.149402D+02  0.153517D+02  0.324173D+02  0.144927D+02
      2  -0.275241D+02 -0.720780D+01 -0.748406D+01 -0.153830D+02 -0.322925D+01
      3  -0.290085D+02 -0.773236D+01 -0.786768D+01 -0.170343D+02 -0.112635D+02
      4   0.173464D+02  0.163320D+02  0.632791D+01  0.256256D+02  0.134923D+02
      5   0.158881D+02  0.575668D+01  0.141715D+02  0.922500D+01  0.665900D+01
      6   0.770479D+00 -0.357472D+00 -0.125226D+00  0.714023D+00  0.174483D+01
               231           232           233           234 
      1   0.727380D+01  0.349426D+02  0.732331D+01  0.120177D+02
      2  -0.279720D+01 -0.175651D+02 -0.308528D+01 -0.927585D+01
      3  -0.447660D+01 -0.173775D+02 -0.423803D+01 -0.274189D+01
      4   0.769589D+01  0.112170D+02  0.112154D+02  0.860087D+01
      5   0.121179D+02  0.200172D+02  0.832747D+01  0.141991D+02
      6   0.233873D+01  0.163212D+01  0.162793D+01  0.169466D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x         -0.560239D-01     -0.142398D+00     -0.474990D+00
   y          0.120008D+00      0.305031D+00      0.101747D+01
   z          0.316408D-01      0.804228D-01      0.268262D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.139877D+03      0.207276D+02      0.230626D+02
   yx        -0.460708D+01     -0.682699D+00     -0.759606D+00
   yy         0.107772D+03      0.159701D+02      0.177692D+02
   zx        -0.274845D+01     -0.407278D+00     -0.453158D+00
   zy         0.131010D+01      0.194137D+00      0.216007D+00
   zz         0.963721D+02      0.142809D+02      0.158896D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122270D+03      0.181185D+02      0.201595D+02
   aniso      0.429172D+02      0.635968D+01      0.707610D+01
   xx         0.149247D+03      0.221161D+02      0.246075D+02
   yx        -0.502022D+01     -0.743920D+00     -0.827723D+00
   yy         0.114528D+03      0.169713D+02      0.188831D+02
   zx        -0.287034D+01     -0.425341D+00     -0.473256D+00
   zy         0.129429D+01      0.191793D+00      0.213399D+00
   zz         0.103034D+03      0.152681D+02      0.169881D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.09028938          1.55408846         -1.55480277
     6          1.51912016          1.88038295          0.78026374
     6         -2.26505750         -0.19089875         -1.36921840
     6         -3.22307634         -0.94888542          0.83569022
     6         -5.47790768         -2.65023376          1.02036778
     6         -2.08081433         -0.05693366          3.29737629
     6          0.77968882          0.38819100          3.12130542
     6          2.63006188          0.63696785         -1.54585729
     1         -0.42767453          3.22683563         -2.69382575
     1          2.19215574          3.77914091          1.14537760
     1         -3.11826062         -0.83922497         -3.12003460
     1         -6.23286869         -3.12015895         -0.83842673
     1         -6.98334267         -1.75791784          2.12456048
     1         -5.00164234         -4.41184845          1.99526994
     1         -2.48106943         -1.43267109          4.78652495
     1         -3.03233449          1.69196905          3.87473636
     1          1.73023415         -1.44288003          3.13811791
     1          1.43155457          1.38503185          4.80583392
     6          3.18573896         -2.16091869         -1.56483670
     6          4.50580920          2.18636699         -3.04430493
     1          1.69282199         -3.26196980         -0.67688417
     1          4.95967622         -2.56628422         -0.58485758
     1          3.37844460         -2.83289166         -3.50857778
     1          4.03878456          4.19455013         -2.98633225
     1          4.53629951          1.59956664         -5.02558591
     1          6.41757635          1.95998354         -2.29178830

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136168D+00      0.346105D+00      0.115448D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.125761D+03      0.186358D+02      0.207351D+02
   yx         0.120306D+02      0.178276D+01      0.198358D+01
   yy         0.101266D+03      0.150061D+02      0.166965D+02
   zx        -0.149505D+02     -0.221543D+01     -0.246500D+01
   zy        -0.413543D+01     -0.612808D+00     -0.681841D+00
   zz         0.116994D+03      0.173367D+02      0.192897D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122270D+03      0.181185D+02      0.201595D+02
   aniso      0.429172D+02      0.635968D+01      0.707610D+01
   xx         0.134146D+03      0.198784D+02      0.221176D+02
   yx         0.126401D+02      0.187307D+01      0.208407D+01
   yy         0.108159D+03      0.160275D+02      0.178330D+02
   zx        -0.161618D+02     -0.239493D+01     -0.266472D+01
   zy        -0.451854D+01     -0.669579D+00     -0.745007D+00
   zz         0.124504D+03      0.184496D+02      0.205279D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K11-28-01\Freq\RLC-PBEPBE\Gen\C10H16\PIERPA\16-Jul-2021\0
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 A HARD FALL SHOULD MEAN A HIGH BOUNCE 
 IF ONE IS MADE OF THE RIGHT MATERIAL.

                -- THE CHEMIST ANALYST, MARCH 1950
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